Glycoside

GD134936
Name:
2,5-bis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.3.1.0³,â¸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoateFormula:
C35H54O13Smiles:
C=C1C(OC(C)=O)CCC2(C)CC(OC3OC(CO)C(O)C(O)C3O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)CAglycone:
C=C1C(OC(C)=O)CCC2(C)CC(O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.8 |
AlogP: | 1.7 | Num_rotatable_bonds: | 8 |
MolWt: | 682.8 | Num_heavy_atoms: | 48 |
TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD54585
Formula: C29H44O8
Smiles:
C=C1C(OC(C)=O)CCC2(C)CC(O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)CHBA: | 8 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.76 |
AlogP: | 3.88 | Num_rotatable_bonds: | 5 |
MolWt: | 520.66 | Num_heavy_atoms: | 37 |
TPSA: | 119.36 | NumAromaticRings: | 0 |