Glycoside
GD127441
Name:
9-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-5-ethyl-3,4-dihydroxy-11-({3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl}oxy)-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-oneFormula:
C38H67O12NSmiles:
CCC1OC(=O)C(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)OSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 729.95 | Num_heavy_atoms: | 51 |
| TPSA: | 176.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD23547
Formula: C31H55O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 585.78 | Num_heavy_atoms: | 41 |
| TPSA: | 138.15 | NumAromaticRings: | 0 |
