Glycoside
...
GD001990

Name:
SYLVISIDE

Formula:
C31H44O12

Smiles:
C=C1[C@H]2CC[C@@H]3[C@]4(C)C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5OC(=O)C(C)=CC)CC(C(=O)O)(C(=O)O)[C@H]4CC[C@@]3(C2)[C@H]1O

Aglycone:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)(C(=O)O)C4CCC3(C2)C1O.CC=C(C)C(=O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.77
AlogP: 1.39 Num_rotatable_bonds: 7
MolWt: 608.68 Num_heavy_atoms: 43
TPSA: 200.28 NumAromaticRings: 0

Unique Aglycone
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD01937
Formula: C20H28O6

Smiles:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)(C(=O)O)C4CCC3(C2)C1O
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.8
AlogP: 2.05 Num_rotatable_bonds: 2
MolWt: 364.44 Num_heavy_atoms: 26
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD00003

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