Glycoside
...
GD008840

Name:
None

Formula:
C55H69O18N11

Smiles:
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C=NOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O

Aglycone:
CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C=NOCCO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(N)=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 6
HBD: 17 FractionCSP3: 0.42
AlogP: -2.69 Num_rotatable_bonds: 31
MolWt: 1172.22 Num_heavy_atoms: 84
TPSA: 460.89 NumAromaticRings: 5

Unique Aglycone
AD07009
Formula: C49H59O13N11

Smiles:
CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C=NOCCO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(N)=O
HBA: 24 RingCount: 5
HBD: 14 FractionCSP3: 0.35
AlogP: -0.52 Num_rotatable_bonds: 28
MolWt: 1010.07 Num_heavy_atoms: 73
TPSA: 381.74 NumAromaticRings: 5

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O