Glycoside

GD026156
Name:
NEPHTHOSIDE MANOACETATEFormula:
C34H50O7Smiles:
CC(=O)O[C@@H]1CO[C@H](Oc2cc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc2C)[C@H](O)[C@H]1OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)c(C)cc1OSugarmoiety:
CC(=O)OC1COC(O)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.56 |
AlogP: | 6.78 | Num_rotatable_bonds: | 14 |
MolWt: | 570.77 | Num_heavy_atoms: | 41 |
TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD06659
Formula: C27H40O2
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)c(C)cc1OHBA: | 2 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.48 |
AlogP: | 8.09 | Num_rotatable_bonds: | 11 |
MolWt: | 396.62 | Num_heavy_atoms: | 29 |
TPSA: | 40.46 | NumAromaticRings: | 1 |