Glycoside
GD140374
Name:
9-(but-1-en-1-yl)-14-methyl-13-{[6-methyl-5-(methylamino)oxan-2-yl]oxy}-2-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dioneFormula:
C42H65O10NSmiles:
CCC=CC1CCCC(OC2CCC(NC)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(OC5OC(C)C(OC)C(OC)C5OC)CC43)C2CC(=O)O1Aglycone:
CCC=CC1CCCC(OC2CCC(NC)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 10 |
| MolWt: | 743.98 | Num_heavy_atoms: | 53 |
| TPSA: | 120.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD56601
Formula: C33H49O6N
Smiles:
CCC=CC1CCCC(OC2CCC(NC)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 555.76 | Num_heavy_atoms: | 40 |
| TPSA: | 94.09 | NumAromaticRings: | 0 |
