Glycoside
GD141530
Name:
2,8,9-trihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydroanthracen-1-oneFormula:
C21H24O10Smiles:
Cc1cc(O)c2c(O)c3c(cc2c1)C(OC1OC(CO)C(O)C(O)C1O)CC(O)C3=OAglycone:
Cc1cc(O)c2c(O)c3c(cc2c1)C(O)CC(O)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD57007
Formula: C15H14O5
Smiles:
Cc1cc(O)c2c(O)c3c(cc2c1)C(O)CC(O)C3=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
