Glycoside
GD142430
Name:
Rupestrin BFormula:
C32H36O17Smiles:
COc1cc2c(c(OC)c1O)C(c1ccc(O)cc1)C1C(=O)OC3C(O)C(COC(=O)C1=C2)OC3(CO)OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc2c(c(OC)c1O)C(c1ccc(O)cc1)C1C(=O)OC3C(O)C(COC(=O)C1=C2)OC3(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 692.62 | Num_heavy_atoms: | 49 |
| TPSA: | 260.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD57317
Formula: C26H26O12
Smiles:
COc1cc2c(c(OC)c1O)C(c1ccc(O)cc1)C1C(=O)OC3C(O)C(COC(=O)C1=C2)OC3(O)CO| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.48 | Num_heavy_atoms: | 38 |
| TPSA: | 181.44 | NumAromaticRings: | 2 |
