Glycoside
GD155602
Name:
2-({6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C25H30O14Smiles:
CC1OC(OC2C(CO)OC(Oc3cc(O)cc(O)c3C(=O)c3ccc(O)cc3)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 554.5 | Num_heavy_atoms: | 39 |
| TPSA: | 236.06 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
