Glycoside
GD157860
Name:
[3,4,5-trihydroxy-6-(4-{4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butyl}-2-methoxyphenoxy)oxan-2-yl]methyl 4-methoxybenzoateFormula:
C34H42O13Smiles:
COc1ccc(C(=O)OCC2OC(Oc3ccc(CC(CO)C(CO)Cc4ccc(O)c(OC)c4)cc3OC)C(O)C(O)C2O)cc1Aglycone:
COC(=O)c1ccc(OC)cc1.COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 15 |
| MolWt: | 658.7 | Num_heavy_atoms: | 47 |
| TPSA: | 193.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD02530
Formula: C9H10O3
Smiles:
COC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD11289
Formula: C20H26O6
Smiles:
COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
