Glycoside
GD009393
Name:
NoneFormula:
C33H37O23N6FP4Smiles:
O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@@H]3O[C@H](Cc4ccccc4)O[C@H]32)c(=O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(NC(=O)Nc3ccc(F)cc3)nc2=O)C2OC(Cc3ccccc3)OC12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 18 |
| MolWt: | 1028.57 | Num_heavy_atoms: | 67 |
| TPSA: | 403.61 | NumAromaticRings: | 4 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD07365
Formula: C25H29O18N4FP4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(NC(=O)Nc3ccc(F)cc3)nc2=O)C2OC(Cc3ccccc3)OC12| HBA: | 22 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 15 |
| MolWt: | 816.41 | Num_heavy_atoms: | 52 |
| TPSA: | 299.06 | NumAromaticRings: | 3 |
