Glycoside
GD127807
Name:
1,8-dihydroxy-3-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-oneFormula:
C21H22O10Smiles:
COc1cc(O)c2c(c1)Cc1c(OC3OC(CO)C(O)C(O)C3O)ccc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)Cc1c(O)ccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD51765
Formula: C15H12O5
Smiles:
COc1cc(O)c2c(c1)Cc1c(O)ccc(O)c1C2=O| 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 |
