Glycoside
GD148031
Name:
Ancorinoside CFormula:
C42H71O17NSmiles:
CC(CCCCCCCCCCCCC(O)=C1C(=O)C(CC(=O)O)N(C)C1=O)CCCCCCCCOC1OC(C(=O)O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC(CCCCCCCCO)CCCCCCCCCCCCC(O)=C1C(=O)C(CC(=O)O)N(C)C1=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: | 0.86 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 29 |
| MolWt: | 862.02 | Num_heavy_atoms: | 60 |
| TPSA: | 290.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD59254
Formula: C30H53O6N
Smiles:
CC(CCCCCCCCO)CCCCCCCCCCCCC(O)=C1C(=O)C(CC(=O)O)N(C)C1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 6.72 | Num_rotatable_bonds: | 23 |
| MolWt: | 523.76 | Num_heavy_atoms: | 37 |
| TPSA: | 115.14 | NumAromaticRings: | 0 |
