Glycoside
...
GD030672

Name:
[3-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-methoxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl benzoate

Formula:
C31H34O12

Smiles:
CO[C@@]12C[C@]3(C)OC(O1)[C@]1(COC(=O)c4ccccc4)[C@H]2C[C@]31O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)c1ccccc1.COC12CC3(C)OC(O1)C1(COC(=O)c4ccccc4)C2CC31O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 9
HBD: 3 FractionCSP3: 0.55
AlogP: 1.16 Num_rotatable_bonds: 9
MolWt: 598.6 Num_heavy_atoms: 43
TPSA: 159.44 NumAromaticRings: 2

Unique Aglycone
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD08968
Formula: C18H20O6

Smiles:
COC12CC3(C)OC(O1)C1(COC(=O)c4ccccc4)C2CC31O
HBA: 6 RingCount: 7
HBD: 1 FractionCSP3: 0.61
AlogP: 1.47 Num_rotatable_bonds: 4
MolWt: 332.35 Num_heavy_atoms: 24
TPSA: 74.22 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O