Glycoside
GD014134
Name:
NoneFormula:
C17H20O13N2P2Smiles:
O=C(Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c1=O)c1ccccc1Aglycone:
COP(=O)(O)OP(=O)(O)O.O=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 522.3 | Num_heavy_atoms: | 34 |
| TPSA: | 224.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | 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 |
