Glycoside

GD146631
Name:
15-(5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl)-18-hydroxy-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:
C35H54O10Smiles:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35C(O)CC12CAglycone:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.89 |
AlogP: | 2.05 | Num_rotatable_bonds: | 7 |
MolWt: | 634.81 | Num_heavy_atoms: | 45 |
TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD58776
Formula: C30H46O6
Smiles:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CHBA: | 6 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.87 |
AlogP: | 3.58 | Num_rotatable_bonds: | 5 |
MolWt: | 502.69 | Num_heavy_atoms: | 36 |
TPSA: | 115.06 | NumAromaticRings: | 0 |