Glycoside
GD148197
Name:
(3,4,5-trihydroxy-6-{[2-hydroxy-5-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl]oxy}oxan-2-yl)methyl 4-hydroxybenzoateFormula:
C22H30O12Smiles:
O=C(OCC1OC(OC2C(O)C(CO)=C(CO)C2CCO)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.OCCC1C(CO)=C(CO)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 486.47 | Num_heavy_atoms: | 34 |
| TPSA: | 206.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD59312
Formula: C9H16O5
Smiles:
OCCC1C(CO)=C(CO)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.22 | Num_heavy_atoms: | 14 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
