Glycoside
GD130611
Name:
[5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C31H38O15Smiles:
CC(=O)OC1C(OCCc2ccc(O)c(O)c2)OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.OCCc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 650.63 | Num_heavy_atoms: | 46 |
| TPSA: | 231.13 | 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 |
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
