Glycoside
GD135379
Name:
Nudifloside BFormula:
C43H60O22Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OC1CC(C)C2COC(=O)CC3C(=COC(OC4OC(CO)C(O)C(O)C4O)C3=CC)C(=O)OCC(C)C12Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OC1CC(C)C2COC(=O)CC3C(=COC(O)C3=CC)C(=O)OCC(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 928.93 | Num_heavy_atoms: | 65 |
| TPSA: | 322.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD54740
Formula: C31H40O12
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OC1CC(C)C2COC(=O)CC3C(=COC(O)C3=CC)C(=O)OCC(C)C12| HBA: | 12 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 604.65 | Num_heavy_atoms: | 43 |
| TPSA: | 164.12 | NumAromaticRings: | 0 |
