Glycoside
GD151648
Name:
Tr-Saponin CFormula:
C53H80O21Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6O)C5O)C(C)(C(=O)O)C4CCC3(C)C1(C)C(O)C2OC(C)=OAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C(=O)O)C4CCC3(C)C1(C)C(O)C2OC(C)=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 1053.2 | Num_heavy_atoms: | 74 |
| TPSA: | 332.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD60453
Formula: C42H64O11
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C(=O)O)C4CCC3(C)C1(C)C(O)C2OC(C)=O| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 5.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 744.96 | Num_heavy_atoms: | 53 |
| TPSA: | 176.89 | NumAromaticRings: | 0 |
