Glycoside
GD000529
Name:
NoneFormula:
C17H22O19N2P4Smiles:
O=C(Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2OP(=O)(O)O)c1=O)c1ccccc1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 13 |
| MolWt: | 682.25 | Num_heavy_atoms: | 42 |
| TPSA: | 317.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
AD00584
Formula: C12H10O3N2
Smiles:
O=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.22 | Num_heavy_atoms: | 17 |
| TPSA: | 71.93 | NumAromaticRings: | 2 |
