Glycoside
GD138676
Name:
{3,4,5-trihydroxy-6-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]oxan-2-yl}methyl 4-hydroxybenzoateFormula:
C23H28O12Smiles:
COc1cc(C(O)C(O)CO)ccc1OC1OC(COC(=O)c2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)c1ccc(O)cc1.COc1cc(C(O)C(O)CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
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 |
AD12085
Formula: C10H14O5
Smiles:
COc1cc(C(O)C(O)CO)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 90.15 | NumAromaticRings: | 1 |
