Glycoside
GD146789
Name:
1,3,6-Trihydroxy-2-Hydroxymethyl-9,10-Anthraquinone 3-O-Beta-PrimeverosideFormula:
C26H28O15Smiles:
O=C1c2cc(O)ccc2C(=O)c2c1cc(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)c(CO)c2OAglycone:
O=C1c2cc(O)ccc2C(=O)c2c1cc(O)c(CO)c2OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 253.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD58835
Formula: C15H10O6
Smiles:
O=C1c2cc(O)ccc2C(=O)c2c1cc(O)c(CO)c2O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
