Glycoside
GD152616
Name:
MontanosideFormula:
C26H28O15Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(C(=O)O)C(OC4OCC(O)(CO)C4O)C(O)C3O)cc(O)c21Aglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OC1OCC(O)(CO)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 242.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD03294
Formula: C15H12O5
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
