Glycoside
GD106025
Name:
NoneFormula:
C18H26O12N7PSmiles:
NO[P@@](=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O)O[C@@H]1[C@H](CO)O[C@H](n2ccc(N)nc2=O)[C@@H]1OAglycone:
COP(=O)(O)ON.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 563.42 | Num_heavy_atoms: | 38 |
| TPSA: | 291.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD44096
Formula: CH6O4NP
Smiles:
COP(=O)(O)ON| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.04 | Num_heavy_atoms: | 7 |
| TPSA: | 81.78 | NumAromaticRings: | 0 |
