Glycoside
GD003599
Name:
NoneFormula:
C16H17O12N2P2ClSmiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3cccc(Cl)c3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)Oc1cccc(Cl)c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 514.7 | Num_heavy_atoms: | 32 |
| TPSA: | 206.84 | NumAromaticRings: | 2 |
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 |
AD03253
Formula: C8H9O7P2Cl
Smiles:
COP(=O)(O)OP(=O)(O)Oc1cccc(Cl)c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 302.54 | Num_heavy_atoms: | 17 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
