Glycoside
GD119033
Name:
13-{[5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-(furan-3-yl)-14-methyl-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:
C43H63O11NSmiles:
COC1C(C)OC(OC2CC3C=CC4C5CC(=O)OC(c6ccoc6)CCCC(OC6CCC(N(C)C)C(C)O6)C(C)C(=O)C5=CC4C3C2)C(OC)C1OCAglycone:
CC1OC(OC2CCCC(c3ccoc3)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CCC1N(C)CSugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.77 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 769.97 | Num_heavy_atoms: | 55 |
| TPSA: | 124.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD47646
Formula: C34H47O7N
Smiles:
CC1OC(OC2CCCC(c3ccoc3)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CCC1N(C)C| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 581.75 | Num_heavy_atoms: | 42 |
| TPSA: | 98.44 | NumAromaticRings: | 1 |
