Glycoside

GD002123
Name:
NoneFormula:
C40H60O10Smiles:
CC(=O)O[C@H]1C[C@@]23C[C@]24CC[C@@H](O[C@H]2OC[C@@H](O)[C@@H](OC(C)=O)[C@@H]2O)C(C)(C)[C@@H]4CC[C@@H]3[C@]2(C)C[C@@H]3O[C@]4(CC[C@]5(C)O[C@H]54)C[C@@H](C)[C@@H]3[C@@]12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CCC5(C)OC54)CC(C)C3C12CSugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 9 |
HBD: | 2 | FractionCSP3: | 0.95 |
AlogP: | 5.09 | Num_rotatable_bonds: | 4 |
MolWt: | 700.91 | Num_heavy_atoms: | 50 |
TPSA: | 133.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD02056
Formula: C33H50O5
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CCC5(C)OC54)CC(C)C3C12CHBA: | 5 | RingCount: | 8 |
HBD: | 1 | FractionCSP3: | 0.97 |
AlogP: | 6.05 | Num_rotatable_bonds: | 1 |
MolWt: | 526.76 | Num_heavy_atoms: | 38 |
TPSA: | 68.29 | NumAromaticRings: | 0 |