Glycoside
GD136054
Name:
Agnucastoside BFormula:
C26H40O12Smiles:
CC(=CCCC(C)CCO)C(=O)OCC1OC(OC2OC=C(C(=O)O)C3CCC(C)(O)C23)C(O)C(O)C1OAglycone:
CC1(O)CCC2C(C(=O)O)=COC(O)C21.COC(=O)C(C)=CCCC(C)CCOSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD10227
Formula: C10H14O5
Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD47048
Formula: C11H20O3
Smiles:
COC(=O)C(C)=CCCC(C)CCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 200.28 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
