Glycoside
GD118435
Name:
Sandrosaponin ViiFormula:
C48H78O19Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(CO)CC63)C(O)CC45C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1(CO)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 959.13 | Num_heavy_atoms: | 67 |
| TPSA: | 307.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD47112
Formula: C30H48O5
Smiles:
CC1(CO)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
