Glycoside
GD129209
Name:
Integracide DFormula:
C36H58O8Smiles:
C=C(CCC(C)C1(OC2OC(CO)C(O)C(O)C2O)CC=C2C3=C(CC(O)C21C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CAglycone:
C=C(CCC(C)C1(O)CC=C2C3=C(CC(O)C21C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD52343
Formula: C30H48O3
Smiles:
C=C(CCC(C)C1(O)CC=C2C3=C(CC(O)C21C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 6.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
