Glycoside
GD032889
Name:
2-[(4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-4-yl acetateFormula:
C23H22O10Smiles:
CC(=O)O[C@H]1[C@H](O)[C@@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@@H](C)[C@H]1OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=OSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.42 | Num_heavy_atoms: | 33 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD00700
Formula: C15H10O5
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=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 |
