Glycoside
GD131151
Name:
(3,4,5-trihydroxy-6-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}oxan-2-yl)methyl 3-hydroxy-4-methoxybenzoateFormula:
C34H40O14Smiles:
COc1ccc(C(=O)OCC2OC(OCC3C(CO)Cc4cc(OC)c(O)cc4C3c3ccc(O)c(OC)c3)C(O)C(O)C2O)cc1OAglycone:
COC(=O)c1ccc(OC)c(O)c1.COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 672.68 | Num_heavy_atoms: | 48 |
| TPSA: | 214.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD05465
Formula: C20H24O6
Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
AD53145
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(OC)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
