Glycoside
GD143074
Name:
Sublanceoside D2Formula:
C46H70O20Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4CC5=CCC6C(=O)OC7COC8(C)OC=C(CCC6C5(C)CC4O)C78)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 943.05 | Num_heavy_atoms: | 66 |
| TPSA: | 269.44 | 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 |
