Glycoside
GD125281
Name:
2-{[4-(acetyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl 3-(4-{[3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}phenyl)prop-2-enoateFormula:
C44H48O21Smiles:
COc1cc(C=CC(=O)Oc2cc(C=CC(=O)OC3C(O)C(CO)OC3(CO)OC3OC(CO)C(O)C(OC(C)=O)C3O)ccc2OC(=O)C=Cc2ccc(OC)c(OC)c2)ccc1OAglycone:
COc1cc(C=CC(=O)Oc2cc(C=CC(=O)O)ccc2OC(=O)C=Cc2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
CC(=O)OC1C(O)C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 18 |
| MolWt: | 912.85 | Num_heavy_atoms: | 65 |
| TPSA: | 302.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD50664
Formula: C30H26O10
Smiles:
COc1cc(C=CC(=O)Oc2cc(C=CC(=O)O)ccc2OC(=O)C=Cc2ccc(OC)c(OC)c2)ccc1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 546.53 | Num_heavy_atoms: | 40 |
| TPSA: | 137.82 | NumAromaticRings: | 3 |
