Glycoside
GD116988
Name:
{6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoateFormula:
C26H24O12Smiles:
O=C(OCC1OC(Oc2cc(O)cc(O)c2C(=O)c2ccc(O)cc2)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.23 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.47 | Num_heavy_atoms: | 38 |
| TPSA: | 203.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD02139
Formula: C13H10O5
Smiles:
O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
