Glycoside
GD134200
Name:
Suavissimoside F1Formula:
C38H58O13Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)OC5OC(CO)C(O)C(O)C5O)(CCC(C)C4(C)O)CCC23C)C(C)(C(=O)O)C1OAglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)O)(CCC(C)C4(C)O)CCC23C)C(C)(C(=O)O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 722.87 | Num_heavy_atoms: | 51 |
| TPSA: | 220.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD54291
Formula: C32H48O8
Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)O)(CCC(C)C4(C)O)CCC23C)C(C)(C(=O)O)C1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 560.73 | Num_heavy_atoms: | 40 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
