Glycoside
...
GD019753

Name:
None

Formula:
C47H69O17N9

Smiles:
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N)=O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(C)C

Aglycone:
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(N)=O)C(C)O)C(C)C)C(C)C

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

Other Identifiers

Properties
HBA: 26 RingCount: 3
HBD: 17 FractionCSP3: 0.55
AlogP: -4.97 Num_rotatable_bonds: 27
MolWt: 1032.12 Num_heavy_atoms: 73
TPSA: 429.72 NumAromaticRings: 2

Unique Aglycone
AD13745
Formula: C41H59O12N9

Smiles:
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(N)=O)C(C)O)C(C)C)C(C)C
HBA: 21 RingCount: 2
HBD: 14 FractionCSP3: 0.49
AlogP: -2.8 Num_rotatable_bonds: 24
MolWt: 869.97 Num_heavy_atoms: 62
TPSA: 350.57 NumAromaticRings: 2

Sugarmoiety
SD00003

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