Glycoside
GD151925
Name:
Theasaponin H1Formula:
C58H90O26Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)OC)C5CCC4(C)C3(C)CC(O)C12COAglycone:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C(=O)OC)C5CCC4(C)C3(C)CC(O)C12COSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.88 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 14 |
| MolWt: | 1203.33 | Num_heavy_atoms: | 84 |
| TPSA: | 406.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD60542
Formula: C36H56O7
Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C(=O)OC)C5CCC4(C)C3(C)CC(O)C12CO| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 600.84 | Num_heavy_atoms: | 43 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
