Glycoside
GD141362
Name:
3,9-dihydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydroanthracen-1-oneFormula:
C28H36O15Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(cc2c1)CC(C)(O)CC3=OAglycone:
COc1cc(O)c2c(O)c3c(cc2c1)CC(C)(O)CC3=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD56956
Formula: C16H16O5
Smiles:
COc1cc(O)c2c(O)c3c(cc2c1)CC(C)(O)CC3=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
