Glycoside

GD003693
Name:
NoneFormula:
C68H72O24N4Smiles:
OC[C@@H]1O[C@H](Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5nc(c(-c6ccc(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)cc6)c6ccc([nH]6)c(-c6ccc(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)cc6)c6ccc3[nH]6)CC5)C=C4)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4nc2CC4)C=C3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.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: | 13 |
HBD: | 18 | FractionCSP3: | 0.38 |
AlogP: | -0.35 | Num_rotatable_bonds: | 16 |
MolWt: | 1329.33 | Num_heavy_atoms: | 96 |
TPSA: | 454.88 | NumAromaticRings: | 7 |
Unique Aglycone
AD03320
Formula: C44H32O4N4
Smiles:
Oc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4nc2CC4)C=C3)cc1HBA: | 8 | RingCount: | 9 |
HBD: | 6 | FractionCSP3: | 0.05 |
AlogP: | 9.76 | Num_rotatable_bonds: | 4 |
MolWt: | 680.76 | Num_heavy_atoms: | 52 |
TPSA: | 138.28 | NumAromaticRings: | 7 |
Sugarmoiety

SD00109
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O