Glycoside
...
GD024925

Name:
None

Formula:
C45H73O15N7

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)CC)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O

Aglycone:
CCC(C)C(NC(=O)C(N)C(C)O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)CC

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

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 15 FractionCSP3: 0.71
AlogP: -1.7 Num_rotatable_bonds: 26
MolWt: 952.11 Num_heavy_atoms: 67
TPSA: 371.52 NumAromaticRings: 1

Unique Aglycone
AD16585
Formula: C39H63O10N7

Smiles:
CCC(C)C(NC(=O)C(N)C(C)O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)CC
HBA: 17 RingCount: 2
HBD: 12 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 23
MolWt: 789.97 Num_heavy_atoms: 56
TPSA: 292.37 NumAromaticRings: 1

Sugarmoiety
SD00003

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