Glycoside
...
GD017849

Name:
None

Formula:
C47H69O12N3

Smiles:
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](OCc6cn(C7O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)nn6)C(C)(C)[C@H]5CC[C@]43C)[C@H]12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OCC6=C[N]N=N6)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: 15 RingCount: 7
HBD: 1 FractionCSP3: 0.81
AlogP: 7.16 Num_rotatable_bonds: 11
MolWt: 868.08 Num_heavy_atoms: 62
TPSA: 191.67 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
AD12690
Formula: C33H50O3N3

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OCC6=C[N]N=N6)C(C)(C)C5CCC43C)C12
HBA: 6 RingCount: 6
HBD: 1 FractionCSP3: 0.85
AlogP: 7.94 Num_rotatable_bonds: 5
MolWt: 536.78 Num_heavy_atoms: 39
TPSA: 85.35 NumAromaticRings: 0

Sugarmoiety
SD00012

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