Glycoside
GD129981
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylateFormula:
C21H18O11Smiles:
O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=OAglycone:
O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.36 | Num_heavy_atoms: | 32 |
| TPSA: | 191.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD40245
Formula: C15H8O6
Smiles:
O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.22 | Num_heavy_atoms: | 21 |
| TPSA: | 111.9 | NumAromaticRings: | 2 |
