Glycoside

GD114660
Name:
2-{[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]methyl}-9-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-2-hydroxy-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dioneFormula:
C36H59O13NSmiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC2OC2C1(O)COC1OC(C)C(O)C(O)C1OCAglycone:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC2OC2C1(O)COSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.83 |
AlogP: | 1.11 | Num_rotatable_bonds: | 8 |
MolWt: | 713.86 | Num_heavy_atoms: | 50 |
TPSA: | 186.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD06157
Formula: C29H47O9N
Smiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC2OC2C1(O)COHBA: | 10 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.79 |
AlogP: | 1.6 | Num_rotatable_bonds: | 5 |
MolWt: | 553.69 | Num_heavy_atoms: | 39 |
TPSA: | 138.29 | NumAromaticRings: | 0 |