Glycoside
GD012674
Name:
COCHINCHISIDE BFormula:
C27H28O12Smiles:
O=C(O[C@@H]1[C@H](Oc2c(O)cccc2COC(=O)C2(O)C=CCCC2=O)O[C@H](CO)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C1CCC=CC1(O)C(=O)OCc1cccc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 544.51 | Num_heavy_atoms: | 39 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD09534
Formula: C14H14O6
Smiles:
O=C1CCC=CC1(O)C(=O)OCc1cccc(O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.26 | Num_heavy_atoms: | 20 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
