Glycoside

GD023795
Name:
ARGELOSIDE LFormula:
C56H88O23Smiles:
CO[C@H]1C[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4[C@H](C)O[C@@H](O[C@@H]5CC[C@]6(COC(C)=O)C(=CC[C@@H]7[C@H]6CC[C@]6(C)[C@@H]8[C@@H]9CO[C@@]8(C)O[C@@]76O9)C5)C[C@H]4OC)C[C@H]3OC)O[C@H]2C)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)OCC12CCC(O)CC1=CCC1C2CCC2(C)C3C4COC3(C)OC12O4Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1Other Identifiers
Properties
HBA: | 23 | RingCount: | 11 |
HBD: | 5 | FractionCSP3: | 0.95 |
AlogP: | 2.24 | Num_rotatable_bonds: | 16 |
MolWt: | 1129.3 | Num_heavy_atoms: | 79 |
TPSA: | 275.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD15973
Formula: C23H32O6
Smiles:
CC(=O)OCC12CCC(O)CC1=CCC1C2CCC2(C)C3C4COC3(C)OC12O4HBA: | 6 | RingCount: | 6 |
HBD: | 1 | FractionCSP3: | 0.87 |
AlogP: | 2.93 | Num_rotatable_bonds: | 2 |
MolWt: | 404.5 | Num_heavy_atoms: | 29 |
TPSA: | 74.22 | NumAromaticRings: | 0 |
Sugarmoiety

SD02553
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1