Glycoside
GD153426
Name:
4,9-dihydroxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydroanthracen-1-oneFormula:
C21H24O9Smiles:
Cc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c3c(cc2c1)C(O)CCC3=OAglycone:
Cc1cc(O)c2c(O)c3c(cc2c1)C(O)CCC3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD61017
Formula: C15H14O4
Smiles:
Cc1cc(O)c2c(O)c3c(cc2c1)C(O)CCC3=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
