Glycoside
GD012282
Name:
VATALBINOSIDE DFormula:
C34H32O12Smiles:
OC[C@@H]1O[C@H](Oc2ccc3c4c2O[C@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]3O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C2Oc3c(O)ccc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C4O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 632.62 | Num_heavy_atoms: | 46 |
| TPSA: | 209.76 | NumAromaticRings: | 4 |
Unique Aglycone
AD09279
Formula: C28H22O7
Smiles:
Oc1ccc(C2Oc3c(O)ccc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C4O)cc1| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.48 | Num_heavy_atoms: | 35 |
| TPSA: | 130.61 | NumAromaticRings: | 4 |
