Glycoside
GD036812
Name:
NoneFormula:
C18H27O12N5P2Smiles:
COC(=O)C=CCCCOP(=O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@H]1OAglycone:
COC(=O)C=CCCCOP(=O)(O)CP(=O)(O)OC.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 567.39 | Num_heavy_atoms: | 37 |
| TPSA: | 258.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD23214
Formula: C9H18O8P2
Smiles:
COC(=O)C=CCCCOP(=O)(O)CP(=O)(O)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 316.18 | Num_heavy_atoms: | 19 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
