Glycoside
GD004187
Name:
NoneFormula:
C34H56O8N2Smiles:
CCCCCCCCCCCCCCCCOC[C@H](CO[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O)OCAglycone:
CCCCCCCCCCCCCCCCOCC(CO)OC.O=C1NC(=O)c2ccccc21Sugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 23 |
| MolWt: | 620.83 | Num_heavy_atoms: | 44 |
| TPSA: | 140.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD00892
Formula: C20H42O3
Smiles:
CCCCCCCCCCCCCCCCOCC(CO)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 19 |
| MolWt: | 330.55 | Num_heavy_atoms: | 23 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD03368
Formula: C8H5O2N
Smiles:
O=C1NC(=O)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 147.13 | Num_heavy_atoms: | 11 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
