Glycoside

GD155659
Name:
2-({15-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-14-oxopentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadec-10-en-6-yl}oxy)-3,5-dihydroxyoxan-4-yl acetateFormula:
C37H54O10Smiles:
CC(=O)OC1C(O)COC(OC2CCC34CC35C(=CCC4C2(C)C)C2(C)CC(=O)C(C(C)CC(=O)C3OC3(C)C)C2(C)CC5O)C1OAglycone:
CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CSugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 7 |
HBD: | 3 | FractionCSP3: | 0.86 |
AlogP: | 3.66 | Num_rotatable_bonds: | 7 |
MolWt: | 658.83 | Num_heavy_atoms: | 47 |
TPSA: | 152.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD44719
Formula: C30H44O5
Smiles:
CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CHBA: | 5 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.87 |
AlogP: | 4.63 | Num_rotatable_bonds: | 4 |
MolWt: | 484.68 | Num_heavy_atoms: | 35 |
TPSA: | 87.13 | NumAromaticRings: | 0 |