Glycoside
GD038901
Name:
1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-(sec-butyl)-anthraceneFormula:
C24H30O7Smiles:
CC[C@H](C)c1ccc2cc3c(c(O)c2c1O)C(=O)C[C@@H]([C@@H](OC)C(=O)[C@@H](O)[C@H](C)O)C3Aglycone:
CCC(C)c1ccc2cc3c(c(O)c2c1O)C(=O)CCC3Sugarmoiety:
COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.5 | Num_heavy_atoms: | 31 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD24176
Formula: C18H20O3
Smiles:
CCC(C)c1ccc2cc3c(c(O)c2c1O)C(=O)CCC3| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.36 | Num_heavy_atoms: | 21 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
