Glycoside
GD146492
Name:
Theasaponin G1Formula:
C57H88O25Smiles:
CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC3(C)C1(C)CC2OAglycone:
CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2OSugarmoiety:
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: | 25 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.88 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 1173.31 | Num_heavy_atoms: | 82 |
| TPSA: | 397.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD58737
Formula: C35H54O6
Smiles:
CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 570.81 | Num_heavy_atoms: | 41 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
