Glycoside
GD124903
Name:
Sublanceoside H2Formula:
C48H74O20Smiles:
COC1CC(OC2CC3=CCC4C(=O)OC5COC6(C)OC=C(CCC4C3(C)CC2O)C56)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1Aglycone:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 12 |
| MolWt: | 971.1 | Num_heavy_atoms: | 68 |
| TPSA: | 247.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD44956
Formula: C21H28O6
Smiles:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
