Glycoside

GD118362
Name:
15-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadec-10-en-14-oneFormula:
C35H52O8Smiles:
CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 7 |
HBD: | 3 | FractionCSP3: | 0.89 |
AlogP: | 4.12 | Num_rotatable_bonds: | 6 |
MolWt: | 600.79 | Num_heavy_atoms: | 43 |
TPSA: | 125.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD47317
Formula: C30H44O4
Smiles:
CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC12CHBA: | 4 | RingCount: | 6 |
HBD: | 1 | FractionCSP3: | 0.87 |
AlogP: | 5.66 | Num_rotatable_bonds: | 4 |
MolWt: | 468.68 | Num_heavy_atoms: | 34 |
TPSA: | 66.9 | NumAromaticRings: | 0 |