Glycoside

GD143716
Name:
3-(2,3-dihydroxypentan-2-yl)-9-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-1-hydroxy-7-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-5-oneFormula:
C37H67O13NSmiles:
CCC(O)C(C)(O)C1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(O)(O2)C1CAglycone:
CCC(O)C(C)(O)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(O)(O2)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.97 |
AlogP: | 1.94 | Num_rotatable_bonds: | 9 |
MolWt: | 733.94 | Num_heavy_atoms: | 51 |
TPSA: | 186.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD57787
Formula: C29H53O10N
Smiles:
CCC(O)C(C)(O)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(O)(O2)C1CHBA: | 11 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.97 |
AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
MolWt: | 575.74 | Num_heavy_atoms: | 40 |
TPSA: | 158.38 | NumAromaticRings: | 0 |