Glycoside
GD148470
Name:
(6-{[2-(3,4-dihydroxyphenyl)ethyl]peroxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C23H26O11Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OOCCc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.OOCCc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
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 |
AD59407
Formula: C8H10O4
Smiles:
OOCCc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
