Glycoside
GD000386
Name:
NoneFormula:
C8H13O14N2P3Smiles:
O=c1ccn(C2CC(O)C(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1Aglycone:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.11 | Num_heavy_atoms: | 27 |
| TPSA: | 244.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00437
Formula: H5O10P3
Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.95 | Num_heavy_atoms: | 13 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
