Glycoside
GD141844
Name:
4,9-dihydroxy-2-methoxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydroanthracen-1-oneFormula:
C22H26O10Smiles:
COC1CC(O)c2cc3cc(C)cc(OC4OC(CO)C(O)C(O)C4O)c3c(O)c2C1=OAglycone:
COC1CC(O)c2cc3cc(C)cc(O)c3c(O)c2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD57112
Formula: C16H16O5
Smiles:
COC1CC(O)c2cc3cc(C)cc(O)c3c(O)c2C1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
