Glycoside
GD035649
Name:
NoneFormula:
C29H35O15N8P2Smiles:
CCc1cc(C(=O)c2cc[n+]([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4O[C@H](n5cnc6c(N)ncnc65)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2C(N)=O)ccn1Aglycone:
CCc1cc(C(=O)c2cc[nH+]cc2C(N)=O)ccn1.COP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 14 |
| MolWt: | 797.59 | Num_heavy_atoms: | 54 |
| TPSA: | 348.22 | NumAromaticRings: | 4 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
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 |
AD22545
Formula: C14H14O2N3
Smiles:
CCc1cc(C(=O)c2cc[nH+]cc2C(N)=O)ccn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.28 | Num_heavy_atoms: | 19 |
| TPSA: | 87.19 | NumAromaticRings: | 2 |
