Glycoside
GD141754
Name:
2-[9-({[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}methyl)-7-hydroxy-3-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehydeFormula:
C39H65O14NSmiles:
COC1C(OCC2OC(=O)CC(O)C(C)C(COC3CC(N(C)C)C(O)C(C)O3)C(CC=O)CC(C)C(=O)C=CC3(C)OC3C2C)OC(C)C(O)C1OCAglycone:
CC1CC(CC=O)C(COC2CC(N(C)C)C(O)C(C)O2)C(C)C(O)CC(=O)OC(CO)C(C)C2OC2(C)C=CC1=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 771.94 | Num_heavy_atoms: | 54 |
| TPSA: | 192.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD57080
Formula: C31H51O10N
Smiles:
CC1CC(CC=O)C(COC2CC(N(C)C)C(O)C(C)O2)C(C)C(O)CC(=O)OC(CO)C(C)C2OC2(C)C=CC1=O| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 597.75 | Num_heavy_atoms: | 42 |
| TPSA: | 155.36 | NumAromaticRings: | 0 |
