Glycoside
GD018469
Name:
NoneFormula:
C17H24O15N3P3Smiles:
O=c1[nH]c(=NOCCc2ccccc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1[nH]ccc(=NOCCc2ccccc2)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 12 |
| MolWt: | 603.31 | Num_heavy_atoms: | 38 |
| TPSA: | 268.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD13027
Formula: C12H13O2N3
Smiles:
O=c1[nH]ccc(=NOCCc2ccccc2)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 231.26 | Num_heavy_atoms: | 17 |
| TPSA: | 70.24 | NumAromaticRings: | 2 |
