Glycoside
GD004146
Name:
NoneFormula:
C16H23O9N2PSmiles:
CC(C)(C)C#Cc1cn([C@@H]2O[C@H]([C@H](O)CP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CC(C)(C)C#Cc1c[nH]c(=O)[nH]c1=O.O=P(O)(O)CCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.34 | Num_heavy_atoms: | 28 |
| TPSA: | 182.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD00029
Formula: C2H7O4P
Smiles:
O=P(O)(O)CCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD02670
Formula: C10H12O2N2
Smiles:
CC(C)(C)C#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 192.22 | Num_heavy_atoms: | 14 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
