Glycoside
...
GD005083

Name:
VERNOFLEXUOSIDE TETRA ACETYL

Formula:
C29H36O12

Smiles:
C=C1C(=O)O[C@@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(=C)[C@@H]12

Aglycone:
C=C1C(=O)OC2C1CCC(=C)C1CC(O)C(=C)C12.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.62
AlogP: 2.09 Num_rotatable_bonds: 7
MolWt: 576.6 Num_heavy_atoms: 41
TPSA: 149.96 NumAromaticRings: 0

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
AD04351
Formula: C15H18O3

Smiles:
C=C1C(=O)OC2C1CCC(=C)C1CC(O)C(=C)C12
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.53
AlogP: 1.99 Num_rotatable_bonds: 0
MolWt: 246.31 Num_heavy_atoms: 18
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD00012

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