Glycoside
GD119403
Name:
2-(9-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl)acetic acidFormula:
C31H51O11NSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CC(=O)O)CC(C)C(=O)C=CC2(C)OC2C1CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(=O)O)CC(C)C(=O)C=CC2(C)OC2C1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 613.75 | Num_heavy_atoms: | 43 |
| TPSA: | 175.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD47829
Formula: C23H36O8
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(=O)O)CC(C)C(=O)C=CC2(C)OC2C1C| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 440.53 | Num_heavy_atoms: | 31 |
| TPSA: | 133.66 | NumAromaticRings: | 0 |
