Glycoside
GD030099
Name:
NoneFormula:
C21H28O15N3P3Smiles:
C#CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=NOCc3ccccc3)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
C#CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC.O=c1[nH]ccc(=NOCc2ccccc2)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 15 |
| MolWt: | 655.38 | Num_heavy_atoms: | 42 |
| TPSA: | 257.89 | NumAromaticRings: | 2 |
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 |
AD18059
Formula: C6H13O10P3
Smiles:
C#CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 338.08 | Num_heavy_atoms: | 19 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
