Glycoside
GD037210
Name:
NoneFormula:
C16H21O8N5PClSmiles:
O=P(O)(O)COC[C@@H]1O[C@H](n2cnc3c(N4CCOCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COCP(=O)(O)O.Clc1nc2c(c(N3CCOCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.79 | Num_heavy_atoms: | 30 |
| TPSA: | 172.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD01581
Formula: C2H7O4P
Smiles:
COCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23454
Formula: C10H9ON5Cl
Smiles:
Clc1nc2c(c(N3CCOCC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.66 | Num_heavy_atoms: | 16 |
| TPSA: | 64.71 | NumAromaticRings: | 1 |
