Glycoside
GD019248
Name:
Saikosaponin CFormula:
C48H78O17Smiles:
CC1O[C@H](OC2C(COC3OC(CO)C(O)[C@H](O)C3O)OC(OC3CC[C@]4(C)C(CC[C@]5(C)[C@H]4C=C[C@]46OC[C@]7(CCC(C)(C)C[C@@H]47)C(O)C[C@@]65C)C3(C)C)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 927.14 | Num_heavy_atoms: | 65 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD09166
Formula: C30H48O3
Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
