Glycoside
GD007137
Name:
NoneFormula:
C16H29O12N7P2Smiles:
NCCOCCOCCn1c(N)nc2c(ncn2C2O[C@H](COP(=O)(O)NP(=O)(O)O)[C@H](O)[C@H]2O)c1=OAglycone:
COP(=O)(O)NP(=O)(O)O.NCCOCCOCCn1c(N)nc2c(c1=O)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.69 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 14 |
| MolWt: | 573.39 | Num_heavy_atoms: | 37 |
| TPSA: | 288.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD04433
Formula: CH7O6NP2
Smiles:
COP(=O)(O)NP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 191.02 | Num_heavy_atoms: | 10 |
| TPSA: | 116.09 | NumAromaticRings: | 0 |
AD05834
Formula: C11H17O3N6
Smiles:
NCCOCCOCCn1c(N)nc2c(c1=O)N=C[N]2| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 281.3 | Num_heavy_atoms: | 20 |
| TPSA: | 131.85 | NumAromaticRings: | 1 |
