Glycoside
...
GD037546

Name:
None

Formula:
C134H217O32N29S2

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O

Aglycone:
CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C1CSSCC(N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O

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

Other Identifiers

Properties
HBA: 61 RingCount: 7
HBD: 37 FractionCSP3: 0.68
AlogP: -3.83 Num_rotatable_bonds: 74
MolWt: 2810.51 Num_heavy_atoms: 197
TPSA: 947.6 NumAromaticRings: 3

Unique Aglycone
AD23522
Formula: C126H204O27N28S2

Smiles:
CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C1CSSCC(N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O
HBA: 55 RingCount: 6
HBD: 34 FractionCSP3: 0.67
AlogP: -1.8 Num_rotatable_bonds: 70
MolWt: 2607.32 Num_heavy_atoms: 183
TPSA: 859.58 NumAromaticRings: 3

Sugarmoiety
SD00014

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