Glycoside
GD004761
Name:
NoneFormula:
C16H21O9N2PSmiles:
CCCCC#Cc1cn([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCCCC#Cc1c[nH]c(=O)[nH]c1=O.O=P([O-])([O-])CCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.32 | Num_heavy_atoms: | 28 |
| TPSA: | 187.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD01805
Formula: C2H5O4P
Smiles:
O=P([O-])([O-])CCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 124.03 | Num_heavy_atoms: | 7 |
| TPSA: | 83.42 | NumAromaticRings: | 0 |
AD04116
Formula: C10H12O2N2
Smiles:
CCCCC#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.22 | Num_heavy_atoms: | 14 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
