Glycoside

GD139365
Name:
4,18',19'-trihydroxy-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:
C35H56O13Smiles:
CC(=O)OC1CC2(O)C(O)CC3C4CC5OC6(CC(O)C(C)CO6)C(C)C5C4(C)CCC3C2(C)CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2(O)C(O)CC3C4CC5OC6(CC(O)C(C)CO6)C(C)C5C4(C)CCC3C2(C)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 7 |
HBD: | 7 | FractionCSP3: | 0.97 |
AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
MolWt: | 684.82 | Num_heavy_atoms: | 48 |
TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD56195
Formula: C29H46O8
Smiles:
CC(=O)OC1CC2(O)C(O)CC3C4CC5OC6(CC(O)C(C)CO6)C(C)C5C4(C)CCC3C2(C)CC1OHBA: | 8 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.97 |
AlogP: | 2.39 | Num_rotatable_bonds: | 1 |
MolWt: | 522.68 | Num_heavy_atoms: | 37 |
TPSA: | 125.68 | NumAromaticRings: | 0 |