Glycoside
...
GD030744

Name:
None

Formula:
C51H73O15N3

Smiles:
C=C(C(=O)OCc1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12

Aglycone:
C=C(C(=O)OCC1=C[N]N=N1)C1CCC2(COC(C)=O)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12.COC(C)=O

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 0 FractionCSP3: 0.78
AlogP: 6.71 Num_rotatable_bonds: 13
MolWt: 968.15 Num_heavy_atoms: 69
TPSA: 224.04 NumAromaticRings: 1

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
AD19886
Formula: C37H54O6N3

Smiles:
C=C(C(=O)OCC1=C[N]N=N1)C1CCC2(COC(C)=O)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12
HBA: 9 RingCount: 6
HBD: 0 FractionCSP3: 0.81
AlogP: 7.49 Num_rotatable_bonds: 7
MolWt: 636.85 Num_heavy_atoms: 46
TPSA: 117.72 NumAromaticRings: 0

Sugarmoiety
SD00012

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