Glycoside
GD136605
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-hydroxy-3-methoxybenzoateFormula:
C34H42O14Smiles:
COc1cc(CC(CO)C(CO)Cc2ccc(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)Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 15 |
| MolWt: | 674.7 | Num_heavy_atoms: | 48 |
| TPSA: | 214.06 | 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 |
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 |
