Glycoside

GD156471
Name:
8,17-dihydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-en-1-yl)-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹â´,¹â¹]henicos-19-en-12-oneFormula:
C36H56O10Smiles:
CC(C)=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(CC(OC6OC(CO)C(O)C(O)C6O)C(O)C5(C)C)C4(C)C(=O)CC23C)O1Aglycone:
CC(C)=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(CC(O)C(O)C5(C)C)C4(C)C(=O)CC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.86 |
AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
MolWt: | 648.83 | Num_heavy_atoms: | 46 |
TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD61954
Formula: C30H46O5
Smiles:
CC(C)=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(CC(O)C(O)C5(C)C)C4(C)C(=O)CC23C)O1HBA: | 5 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.83 |
AlogP: | 4.59 | Num_rotatable_bonds: | 1 |
MolWt: | 486.69 | Num_heavy_atoms: | 35 |
TPSA: | 86.99 | NumAromaticRings: | 0 |