Glycoside
GD008498
Name:
NoneFormula:
C27H45O6N3Smiles:
CCCCCCCCC=CCCCCCCCC(=O)O[C@H]1[C@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@H]1OAglycone:
CCCCCCCCC=CCCCCCCCC(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 18 |
| MolWt: | 507.67 | Num_heavy_atoms: | 36 |
| TPSA: | 136.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03577
Formula: C18H34O2
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 282.47 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
