Glycoside
GD025090
Name:
NoneFormula:
C26H33O22N5P4Smiles:
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]3OC(Cc4ccccc4)O[C@H]32)c(=O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C2OC(Cc3ccccc3)OC12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 16 |
| MolWt: | 891.46 | Num_heavy_atoms: | 57 |
| TPSA: | 388.5 | NumAromaticRings: | 3 |
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 |
AD16678
Formula: C18H25O17N3P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C2OC(Cc3ccccc3)OC12| HBA: | 20 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 13 |
| MolWt: | 679.3 | Num_heavy_atoms: | 42 |
| TPSA: | 283.95 | NumAromaticRings: | 2 |
