Glycoside
GD139795
Name:
Ancorinoside DFormula:
C43H71O17NSmiles:
CN1C(=O)C(=C(O)CCCCCCCCCCCC=CCCCCCCCCCCOC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(=O)C1CC(=O)OAglycone:
CN1C(=O)C(=C(O)CCCCCCCCCCCC=CCCCCCCCCCCO)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: | 0.81 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 30 |
| MolWt: | 874.03 | Num_heavy_atoms: | 61 |
| TPSA: | 290.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD56377
Formula: C31H53O6N
Smiles:
CN1C(=O)C(=C(O)CCCCCCCCCCCC=CCCCCCCCCCCO)C(=O)C1CC(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 7.03 | Num_rotatable_bonds: | 24 |
| MolWt: | 535.77 | Num_heavy_atoms: | 38 |
| TPSA: | 115.14 | NumAromaticRings: | 0 |
