Glycoside
GD147948
Name:
2-{[2,5-bis(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methoxy}-4,5-dihydroxyoxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C37H44O16Smiles:
COc1cc(C=CC(=O)OC2C(OCC3C(c4cc(OC)c(O)c(OC)c4)OC(c4cc(OC)c(O)c(OC)c4)C3CO)OCC(O)C2O)ccc1OAglycone:
COc1cc(C2OC(c3cc(OC)c(O)c(OC)c3)C(CO)C2CO)cc(OC)c1O.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 14 |
| MolWt: | 744.74 | Num_heavy_atoms: | 53 |
| TPSA: | 221.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD07747
Formula: C22H28O9
Smiles:
COc1cc(C2OC(c3cc(OC)c(O)c(OC)c3)C(CO)C2CO)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
