Glycoside
GD009675
Name:
NoneFormula:
C21H30O19N5P3Smiles:
CON=c1ccn([C@@]23C[C@H]2[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)c(=O)[nH]1Aglycone:
CON=c1ccn(C23CC2C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC)C(O)C3O)c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 749.41 | Num_heavy_atoms: | 48 |
| TPSA: | 353.21 | NumAromaticRings: | 2 |
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 |
AD07566
Formula: C13H22O14N3P3
Smiles:
CON=c1ccn(C23CC2C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC)C(O)C3O)c(=O)[nH]1| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 537.25 | Num_heavy_atoms: | 33 |
| TPSA: | 248.66 | NumAromaticRings: | 1 |
