Glycoside
GD117506
Name:
9-cyclopropyl-13-{[5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4,14-dimethyl-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:
C43H67O10NSmiles:
COC1C(C)OC(OC2CC3C(C)=CC4C5CC(=O)OC(C6CC6)CCCC(OC6CCC(N(C)C)C(C)O6)C(C)C(=O)C5=CC4C3C2)C(OC)C1OCAglycone:
CC1=CC2C3CC(=O)OC(C4CC4)CCCC(OC4CCC(N(C)C)C(C)O4)C(C)C(=O)C3=CC2C2CC(O)CC12Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 758.01 | Num_heavy_atoms: | 54 |
| TPSA: | 111.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD46856
Formula: C34H51O6N
Smiles:
CC1=CC2C3CC(=O)OC(C4CC4)CCCC(OC4CCC(N(C)C)C(C)O4)C(C)C(=O)C3=CC2C2CC(O)CC12| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 569.78 | Num_heavy_atoms: | 41 |
| TPSA: | 85.3 | NumAromaticRings: | 0 |
