Glycoside

GD024679
Name:
NoneFormula:
C74H84O24N4Smiles:
OC[C@@H]1O[C@H](OCCOCCOc2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccc(OCCOCCO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5ccc([nH]5)c(-c5ccc(OCCOCCO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5nc3C=C5)C=C4)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCCOCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(OCCOCCO)cc4)c4ccc([nH]4)c(-c4ccc(OCCOCCO)cc4)c4nc2C=C4)C=C3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 28 | RingCount: | 12 |
HBD: | 14 | FractionCSP3: | 0.41 |
AlogP: | 2.96 | Num_rotatable_bonds: | 31 |
MolWt: | 1413.49 | Num_heavy_atoms: | 102 |
TPSA: | 410.88 | NumAromaticRings: | 7 |
Unique Aglycone
AD16449
Formula: C56H54O9N4
Smiles:
OCCOCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(OCCOCCO)cc4)c4ccc([nH]4)c(-c4ccc(OCCOCCO)cc4)c4nc2C=C4)C=C3)cc1HBA: | 13 | RingCount: | 9 |
HBD: | 5 | FractionCSP3: | 0.21 |
AlogP: | 9.49 | Num_rotatable_bonds: | 22 |
MolWt: | 927.07 | Num_heavy_atoms: | 69 |
TPSA: | 173.43 | NumAromaticRings: | 7 |