Glycoside
GD157077
Name:
9-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-10-(4-oxopent-2-en-1-yl)-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dioneFormula:
C34H55O10NSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CC=CC(C)=O)CC(C)C(=O)C=CC2(C)OC2C1CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=CC(C)=O)CC(C)C(=O)C=CC2(C)OC2C1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 637.81 | Num_heavy_atoms: | 45 |
| TPSA: | 155.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD62138
Formula: C26H40O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=CC(C)=O)CC(C)C(=O)C=CC2(C)OC2C1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.6 | Num_heavy_atoms: | 33 |
| TPSA: | 113.43 | NumAromaticRings: | 0 |
