Glycoside
GD149915
Name:
1,8,10-trihydroxy-3-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-oneFormula:
C21H22O10Smiles:
Cc1cc(O)c2c(c1)C(O)(OC1OC(CO)C(O)C(O)C1O)c1cccc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(O)(O)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD49447
Formula: C15H12O5
Smiles:
Cc1cc(O)c2c(c1)C(O)(O)c1cccc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
