Glycoside
GD019109
Name:
NoneFormula:
C20H36O6N7PSmiles:
CCCCNP(=O)(NCCCC)OC[C@@H]1O[C@H](n2cnc3c(OC)nc(N)nc32)[C@@](C)(O)[C@H]1OAglycone:
CCCCNP(=O)(NCCCC)OC.COc1nc(N)nc2c1N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 13 |
| MolWt: | 501.53 | Num_heavy_atoms: | 34 |
| TPSA: | 178.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD01261
Formula: C6H6ON5
Smiles:
COc1nc(N)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
AD13381
Formula: C9H23O2N2P
Smiles:
CCCCNP(=O)(NCCCC)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 222.27 | Num_heavy_atoms: | 14 |
| TPSA: | 50.36 | NumAromaticRings: | 0 |
