Glycoside

GD125189
Name:
Aloin; (10R)-Form, 7-Hydroxy, 8-Me EtherFormula:
C22H24O10Smiles:
COc1c(O)ccc2c1C(=O)c1c(O)cc(CO)cc1C2C1OC(CO)C(O)C(O)C1OAglycone:
COc1c(O)ccc2c1C(=O)c1c(O)cc(CO)cc1C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.41 |
AlogP: | -0.88 | Num_rotatable_bonds: | 4 |
MolWt: | 448.42 | Num_heavy_atoms: | 32 |
TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD50623
Formula: C16H14O5
Smiles:
COc1c(O)ccc2c1C(=O)c1c(O)cc(CO)cc1C2HBA: | 5 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.19 |
AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
MolWt: | 286.28 | Num_heavy_atoms: | 21 |
TPSA: | 86.99 | NumAromaticRings: | 2 |