Glycoside
GD027778
Name:
NoneFormula:
C40H44O16N6P2S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OCC(O)COP(=O)(S)OCCCCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(S)OCC(O)COP(=O)(S)OCCCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 19 |
| MolWt: | 990.9 | Num_heavy_atoms: | 66 |
| TPSA: | 315.69 | NumAromaticRings: | 5 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18222
Formula: C31H35O13NP2S2
Smiles:
COP(=O)(S)OCC(O)COP(=O)(S)OCCCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 6.09 | Num_rotatable_bonds: | 16 |
| MolWt: | 755.7 | Num_heavy_atoms: | 49 |
| TPSA: | 196.38 | NumAromaticRings: | 3 |
