Glycoside
GD134057
Name:
2-[6-({4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-3-(dimethylamino)-2-hydroxy-5-methylcyclohexyl}oxy)-10-{[4-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehydeFormula:
C44H76O13N2Smiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CC(N(C)C)CC(C)O2)C(C)CC(CC=O)C1OC1CC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1OAglycone:
COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CC(N(C)C)CC(C)O2)C(C)CC(CC=O)C1OC1CC(C)C(O)C(N(C)C)C1OSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 11 |
| MolWt: | 841.09 | Num_heavy_atoms: | 59 |
| TPSA: | 186.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD54235
Formula: C37H64O10N2
Smiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CC(N(C)C)CC(C)O2)C(C)CC(CC=O)C1OC1CC(C)C(O)C(N(C)C)C1O| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 696.92 | Num_heavy_atoms: | 49 |
| TPSA: | 147.46 | NumAromaticRings: | 0 |
