Glycoside
...
GD026901

Name:
None

Formula:
C146H237O37N49S

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H](C)CC)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(C)C)C(=O)O

Aglycone:
CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CCCC(=O)NCCCO)C(C)CC)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 86 RingCount: 6
HBD: 62 FractionCSP3: 0.6
AlogP: -11.77 Num_rotatable_bonds: 111
MolWt: 3302.87 Num_heavy_atoms: 233
TPSA: 1416.55 NumAromaticRings: 5

Unique Aglycone
AD05006
Formula: C138H224O32N48S

Smiles:
CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CCCC(=O)NCCCO)C(C)CC)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)O
HBA: 80 RingCount: 5
HBD: 59 FractionCSP3: 0.59
AlogP: -9.74 Num_rotatable_bonds: 107
MolWt: 3099.68 Num_heavy_atoms: 219
TPSA: 1328.53 NumAromaticRings: 5

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O