Glycoside
GD035336
Name:
NoneFormula:
C27H39O8N3Smiles:
CCOC(=O)C#Cc1c(C(=O)OCC)nnn1[C@@H]1O[C@H](CO)[C@H](OC2CCCCC2)[C@H]1OC1CCCCC1Aglycone:
CCOC(=O)C#CC1=C(C(=O)OCC)N=N[N]1.OC1CCCCC1.OC1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 533.62 | Num_heavy_atoms: | 38 |
| TPSA: | 131.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD01619
Formula: C10H10O4N3
Smiles:
CCOC(=O)C#CC1=C(C(=O)OCC)N=N[N]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.21 | Num_heavy_atoms: | 17 |
| TPSA: | 91.42 | NumAromaticRings: | 0 |
AD06056
Formula: C6H12O
Smiles:
OC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.16 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
