Glycoside
GD118372
Name:
Ancorinoside BFormula:
C41H69O17NSmiles:
CN1C(=O)C(=C(O)CCCCCCCCCCCCCCCCCCCCCOC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(=O)C1CC(=O)OAglycone:
CN1C(=O)C(=C(O)CCCCCCCCCCCCCCCCCCCCCO)C(=O)C1CC(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 29 |
| MolWt: | 847.99 | Num_heavy_atoms: | 59 |
| TPSA: | 290.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD47323
Formula: C29H51O6N
Smiles:
CN1C(=O)C(=C(O)CCCCCCCCCCCCCCCCCCCCCO)C(=O)C1CC(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 6.48 | Num_rotatable_bonds: | 23 |
| MolWt: | 509.73 | Num_heavy_atoms: | 36 |
| TPSA: | 115.14 | NumAromaticRings: | 0 |
