Glycoside
GD115740
Name:
5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C31H38O17Smiles:
CC(=O)OC1C(OCC(O)c2ccc(O)c(O)c2)OC(CO)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1OC1OC(C)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCC(O)c1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 11 |
| MolWt: | 682.63 | Num_heavy_atoms: | 48 |
| TPSA: | 271.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD44929
Formula: C8H10O4
Smiles:
OCC(O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
