Glycoside
...
GD015870

Name:
None

Formula:
C51H72O18N8

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@H](C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

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

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 26 RingCount: 3
HBD: 11 FractionCSP3: 0.55
AlogP: -1.65 Num_rotatable_bonds: 27
MolWt: 1085.17 Num_heavy_atoms: 77
TPSA: 387.6 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD11482
Formula: C37H54O9N8

Smiles:
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(N)=O)C(C)C)C(C)C)C(C)O
HBA: 17 RingCount: 2
HBD: 12 FractionCSP3: 0.49
AlogP: -1.76 Num_rotatable_bonds: 20
MolWt: 754.89 Num_heavy_atoms: 54
TPSA: 284.17 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O