Glycoside
GD141001
Name:
{3,4,5-trihydroxy-6-[(2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C29H30O12Smiles:
CC(C)(OC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O)C1Cc2cc3ccc(=O)oc3c(O)c2O1Aglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.55 | Num_heavy_atoms: | 41 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
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 |
AD00868
Formula: C14H14O5
Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
