Glycoside
GD123309
Name:
Rubianic AcidFormula:
C25H26O13Smiles:
O=C1c2ccccc2C(=O)c2c1ccc(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)c2OAglycone:
O=C1c2ccccc2C(=O)c2c1ccc(O)c2OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD11663
Formula: C14H8O4
Smiles:
O=C1c2ccccc2C(=O)c2c1ccc(O)c2O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 240.21 | Num_heavy_atoms: | 18 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
