Glycoside
GD148006
Name:
Carnosifloside IiiFormula:
C48H78O18Smiles:
CC(=CCCC(C)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=CCCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 14 |
| MolWt: | 943.13 | Num_heavy_atoms: | 66 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD48535
Formula: C30H48O3
Smiles:
CC(=CCCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C)CO| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 6.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
