Glycoside
GD012435
Name:
NoneFormula:
C16H26O8N5PSmiles:
CC(C)CN(C)c1nc2c(c(=O)[nH]1)[n+](C)cn2[C@@H]1O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
CC(C)CN(C)c1nc2c(c(=O)[nH]1)[N+](C)=C[N]2.COP(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.39 | Num_heavy_atoms: | 30 |
| TPSA: | 177.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD09377
Formula: C11H17ON5
Smiles:
CC(C)CN(C)c1nc2c(c(=O)[nH]1)[N+](C)=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 235.29 | Num_heavy_atoms: | 17 |
| TPSA: | 66.1 | NumAromaticRings: | 1 |
