Glycoside

GD153971
Name:
14-hydroxy-5,5,9-trimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-6-oneFormula:
C26H42O8Smiles:
CC1(C)C(=O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)C(=O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.96 |
AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
MolWt: | 482.61 | Num_heavy_atoms: | 34 |
TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD61196
Formula: C20H32O3
Smiles:
CC1(C)C(=O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)COHBA: | 3 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.95 |
AlogP: | 3.32 | Num_rotatable_bonds: | 1 |
MolWt: | 320.47 | Num_heavy_atoms: | 23 |
TPSA: | 57.53 | NumAromaticRings: | 0 |