Glycoside
GD034408
Name:
NoneFormula:
C24H34O16N7P3Smiles:
CC(=O)NCCn1cc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=NOCc4ccccc4)[nH]c3=O)[C@H](O)[C@H]2O)nn1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCc1cn(CCNC(C)=O)nn1.O=c1[nH]ccc(=NOCc2ccccc2)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 18 |
| MolWt: | 769.49 | Num_heavy_atoms: | 50 |
| TPSA: | 317.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD09607
Formula: C11H11O2N3
Smiles:
O=c1[nH]ccc(=NOCc2ccccc2)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 217.23 | Num_heavy_atoms: | 16 |
| TPSA: | 70.24 | NumAromaticRings: | 2 |
AD21882
Formula: C9H19O11N4P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCc1cn(CCNC(C)=O)nn1| HBA: | 15 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 12 |
| MolWt: | 452.19 | Num_heavy_atoms: | 27 |
| TPSA: | 208.63 | NumAromaticRings: | 1 |
