Glycoside
GD157904
Name:
2,6,8-trihydroxy-1-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-oneFormula:
C21H22O10Smiles:
COc1c(O)ccc2c1C(=O)c1c(O)cc(O)cc1C2C1OC(CO)C(O)C(O)C1OAglycone:
COc1c(O)ccc2c1C(=O)c1c(O)cc(O)cc1C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD62377
Formula: C15H12O5
Smiles:
COc1c(O)ccc2c1C(=O)c1c(O)cc(O)cc1C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
