Glycoside

GD107686
Name:
NoneFormula:
C41H58O18Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)[C@@H]1OC(C)=OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC(=O)OC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 18 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.83 |
AlogP: | 0.29 | Num_rotatable_bonds: | 10 |
MolWt: | 838.9 | Num_heavy_atoms: | 59 |
TPSA: | 260.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD00229
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1HBA: | 6 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.83 |
AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
MolWt: | 404.5 | Num_heavy_atoms: | 29 |
TPSA: | 104.06 | NumAromaticRings: | 0 |