Glycoside
GD119748
Name:
Esculentoside GFormula:
C48H74O21Smiles:
COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CC=C4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CC=C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.88 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 987.1 | Num_heavy_atoms: | 69 |
| TPSA: | 341.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48033
Formula: C31H46O7
Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CC=C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.7 | Num_heavy_atoms: | 38 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
