Glycoside
GD116789
Name:
4-(2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}ethyl)-2-hydroxyphenyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C29H36O15Smiles:
CC1OC(OC2C(O)C(CO)OC(OCCc3ccc(OC(=O)C=Cc4ccc(O)c(O)c4)c(O)c3)C2O)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(CCO)cc1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 624.59 | Num_heavy_atoms: | 44 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD46450
Formula: C17H16O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(CCO)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
