Glycoside

GD026122
Name:
ARDISIANOSIDE GFormula:
C52H86O22Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CO[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC[C@]57OC[C@]8(CC[C@@](C)(O)C[C@@H]58)[C@H](O)C[C@]76C)C4(C)C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 10 |
HBD: | 13 | FractionCSP3: | 1.0 |
AlogP: | -1.96 | Num_rotatable_bonds: | 10 |
MolWt: | 1063.24 | Num_heavy_atoms: | 74 |
TPSA: | 346.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD17242
Formula: C29H48O4
Smiles:
CC1(O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1HBA: | 4 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 5.08 | Num_rotatable_bonds: | 0 |
MolWt: | 460.7 | Num_heavy_atoms: | 33 |
TPSA: | 69.92 | NumAromaticRings: | 0 |