Glycoside

GD027921
Name:
NoneFormula:
C54H92O22Smiles:
C[C@H]1[C@H](C)CC[C@]2(C)CC[C@@]3(C)[C@@H](C[C@H](O)[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12Aglycone:
CC1CCC2(C)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 9 |
HBD: | 14 | FractionCSP3: | 1.0 |
AlogP: | -1.63 | Num_rotatable_bonds: | 12 |
MolWt: | 1093.31 | Num_heavy_atoms: | 76 |
TPSA: | 357.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD18302
Formula: C30H52O2
Smiles:
CC1CCC2(C)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CHBA: | 2 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 1.0 |
AlogP: | 7.08 | Num_rotatable_bonds: | 0 |
MolWt: | 444.74 | Num_heavy_atoms: | 32 |
TPSA: | 40.46 | NumAromaticRings: | 0 |