Glycoside
...
GD031891

Name:
HOMALOSIDE D

Formula:
C27H28O12

Smiles:
O=C(OC[C@@H]1O[C@H](Oc2ccc(O)cc2COC(=O)C2(O)C=CCCC2=O)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1

Aglycone:
COC(=O)c1ccccc1.O=C1CCC=CC1(O)C(=O)OCc1cc(O)ccc1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.37
AlogP: 0.13 Num_rotatable_bonds: 8
MolWt: 544.51 Num_heavy_atoms: 39
TPSA: 189.28 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
AD11076
Formula: C14H14O6

Smiles:
O=C1CCC=CC1(O)C(=O)OCc1cc(O)ccc1O
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.29
AlogP: 0.79 Num_rotatable_bonds: 3
MolWt: 278.26 Num_heavy_atoms: 20
TPSA: 104.06 NumAromaticRings: 1

Sugarmoiety
SD00017

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