Glycoside
GD139913
Name:
(3,4,5-trihydroxy-6-{[2-(hydroxymethyl)-5-oxooxolan-3-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C20H24O11Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2CC(=O)OC2CO)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C1CC(O)C(CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.4 | Num_heavy_atoms: | 31 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD50176
Formula: C5H8O4
Smiles:
O=C1CC(O)C(CO)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.11 | Num_heavy_atoms: | 9 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
