Glycoside
GD131404
Name:
Tr-Saponin BFormula:
C51H78O20Smiles:
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)C2OAglycone:
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)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.84 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 1011.17 | Num_heavy_atoms: | 71 |
| TPSA: | 325.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD53238
Formula: C40H62O10
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)C2O| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 702.93 | Num_heavy_atoms: | 50 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
