Glycoside
GD125241
Name:
9-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-11-({4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl}oxy)-3,4-dihydroxy-5-(1-hydroxyethyl)-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-oneFormula:
C37H65O13NSmiles:
CCN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C)C(=O)OC(C(C)O)C(C)(O)C(O)C(C)C3=C(C)CC2(C)O3)C1OAglycone:
CCN(C)C1CC(C)OC(OC2C(C)C(O)C(C)C(=O)OC(C(C)O)C(C)(O)C(O)C(C)C3=C(C)CC2(C)O3)C1OSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 731.92 | Num_heavy_atoms: | 51 |
| TPSA: | 197.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD50648
Formula: C30H53O10N
Smiles:
CCN(C)C1CC(C)OC(OC2C(C)C(O)C(C)C(=O)OC(C(C)O)C(C)(O)C(O)C(C)C3=C(C)CC2(C)O3)C1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 587.75 | Num_heavy_atoms: | 41 |
| TPSA: | 158.38 | NumAromaticRings: | 0 |
