Glycoside
GD155064
Name:
4-Cdp-2-C-Methyl-D-ErythritolFormula:
C14H25O14N3P2Smiles:
CC(O)(CO)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1OAglycone:
COP(=O)(O)O[PH](=O)O.N=C1C=C[N]C(O)=N1Sugarmoiety:
CC(O)(CO)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 521.31 | Num_heavy_atoms: | 33 |
| TPSA: | 274.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD02733
Formula: CH6O6P2
Smiles:
COP(=O)(O)O[PH](=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
