Glycoside
...
GD023573

Name:
None

Formula:
C107H170O30N34

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(=O)O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O

Aglycone:
CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CN)C(C)C)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)C(C)O

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

Other Identifiers

Properties
HBA: 64 RingCount: 9
HBD: 39 FractionCSP3: 0.67
AlogP: -12.02 Num_rotatable_bonds: 64
MolWt: 2412.74 Num_heavy_atoms: 171
TPSA: 1014.01 NumAromaticRings: 2

Unique Aglycone
AD15839
Formula: C99H157O25N33

Smiles:
CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CN)C(C)C)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)C(C)O
HBA: 58 RingCount: 8
HBD: 36 FractionCSP3: 0.66
AlogP: -9.99 Num_rotatable_bonds: 60
MolWt: 2209.55 Num_heavy_atoms: 157
TPSA: 925.99 NumAromaticRings: 2

Sugarmoiety
SD00014

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