Glycoside

GD015882
Name:
NoneFormula:
C20H31O20N6P3Smiles:
CON=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=NOC)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CON=c1cc[nH]c(=O)[nH]1.CON=c1cc[nH]c(=O)[nH]1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OCSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 26 | RingCount: | 4 |
HBD: | 9 | FractionCSP3: | 0.6 |
AlogP: | -4.1 | Num_rotatable_bonds: | 14 |
MolWt: | 768.41 | Num_heavy_atoms: | 49 |
TPSA: | 366.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD02305
Formula: C5H7O2N3
Smiles:
CON=c1cc[nH]c(=O)[nH]1HBA: | 5 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.2 |
AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
MolWt: | 141.13 | Num_heavy_atoms: | 10 |
TPSA: | 70.24 | NumAromaticRings: | 1 |
AD02306
Formula: C2H9O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OCHBA: | 10 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
MolWt: | 286.01 | Num_heavy_atoms: | 15 |
TPSA: | 148.82 | NumAromaticRings: | 0 |