Glycoside

GD126886
Name:
18',19'-dihydroxy-5,7',9',13'-tetramethyl-15'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-16'-yl acetateFormula:
C35H56O12Smiles:
CC(=O)OC1CC2(O)C(O)CC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C2(C)CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2(O)C(O)CC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C2(C)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 7 |
HBD: | 6 | FractionCSP3: | 0.97 |
AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
MolWt: | 668.82 | Num_heavy_atoms: | 47 |
TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51362
Formula: C29H46O7
Smiles:
CC(=O)OC1CC2(O)C(O)CC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C2(C)CC1OHBA: | 7 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.97 |
AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
MolWt: | 506.68 | Num_heavy_atoms: | 36 |
TPSA: | 105.45 | NumAromaticRings: | 0 |