Glycoside
...
GD015438

Name:
None

Formula:
C20H30O8

Smiles:
COC1C(COC(C)C)O[C@H](OCC(=O)O)[C@H](OCc2ccccc2)[C@H]1OC

Aglycone:
COC(C)C.O=C(O)CO.OCc1ccccc1

Sugarmoiety:
COOC(O)C(O)OOCOC(C)C

Other Identifiers

Properties
HBA: 8 RingCount: 2
HBD: 1 FractionCSP3: 0.65
AlogP: 1.85 Num_rotatable_bonds: 11
MolWt: 398.45 Num_heavy_atoms: 28
TPSA: 92.68 NumAromaticRings: 1

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD02329
Formula: C2H4O3

Smiles:
O=C(O)CO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.94 Num_rotatable_bonds: 1
MolWt: 76.05 Num_heavy_atoms: 5
TPSA: 57.53 NumAromaticRings: 0
AD03491
Formula: C4H10O

Smiles:
COC(C)C
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 74.12 Num_heavy_atoms: 5
TPSA: 9.23 NumAromaticRings: 0

Sugarmoiety
SD02001

COOC(O)C(O)OOCOC(C)C