Glycoside
GD141464
Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-4-yl 3,4,5-trihydroxybenzoateFormula:
C22H22O12Smiles:
O=C(C=Cc1ccc(O)cc1)OC1OC(CO)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
