Glycoside

GD008978
Name:
Latifoloside LFormula:
C47H76O18Smiles:
C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 18 | RingCount: | 8 |
HBD: | 11 | FractionCSP3: | 0.94 |
AlogP: | -0.25 | Num_rotatable_bonds: | 8 |
MolWt: | 929.11 | Num_heavy_atoms: | 65 |
TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD03080
Formula: C30H48O4
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)OHBA: | 4 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.9 |
AlogP: | 6.2 | Num_rotatable_bonds: | 1 |
MolWt: | 472.71 | Num_heavy_atoms: | 34 |
TPSA: | 77.76 | NumAromaticRings: | 0 |