Glycoside
GD146698
Name:
[3,4,5-trihydroxy-6-(4-{4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butyl}-2,6-dimethoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoateFormula:
C35H44O15Smiles:
COc1cc(CC(CO)C(CO)Cc2cc(OC)c(OC3OC(COC(=O)c4ccc(O)c(OC)c4)C(O)C(O)C3O)c(OC)c2)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(OC)c2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 16 |
| MolWt: | 704.72 | Num_heavy_atoms: | 50 |
| TPSA: | 223.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)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 |
AD58801
Formula: C21H28O7
Smiles:
COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(OC)c2)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 392.45 | Num_heavy_atoms: | 28 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
