Glycoside
GD011331
Name:
2-[(4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetateFormula:
C29H32O15Smiles:
CC(=O)O[C@@H]1[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](Oc2cc3c(c(O)c2C)C(=O)c2ccc(O)cc2C3=O)O[C@H](CO)[C@H]1OAglycone:
Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=OSugarmoiety:
CC(=O)OC1C(O)C(CO)OC(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 620.56 | Num_heavy_atoms: | 44 |
| TPSA: | 238.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD08670
Formula: C15H10O5
Smiles:
Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
