Glycoside
GD004600
Name:
NoneFormula:
C16H20O14N4P2Smiles:
O=c1[nH]c(=NOCc2ccc([N+](=O)[O-])cc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.O=c1[nH]ccc(=NOCc2ccc([N+](=O)[O-])cc2)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 554.3 | Num_heavy_atoms: | 36 |
| TPSA: | 265.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD03996
Formula: C11H10O4N4
Smiles:
O=c1[nH]ccc(=NOCc2ccc([N+](=O)[O-])cc2)[nH]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 262.22 | Num_heavy_atoms: | 19 |
| TPSA: | 113.38 | NumAromaticRings: | 2 |
