Glycoside
GD123919
Name:
pachanoside g1Formula:
C51H76O22Smiles:
CC(=O)OCC1(C)CC2C3=CCC4C(C)(CCC5C(C)(C)C(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)CCC45C)C3=C(C)CC2(C(=O)O)CC1OC(C)=OAglycone:
CC(=O)OCC1(C)CC2C3=CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)C3=C(C)CC2(C(=O)O)CC1OC(C)=OSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.84 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 12 |
| MolWt: | 1041.15 | Num_heavy_atoms: | 73 |
| TPSA: | 344.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD50037
Formula: C34H50O7
Smiles:
CC(=O)OCC1(C)CC2C3=CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)C3=C(C)CC2(C(=O)O)CC1OC(C)=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 570.77 | Num_heavy_atoms: | 41 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
