Glycoside
GD118138
Name:
2-(9-{[4-(dimethylamino)-3-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}-3-ethyl-7-hydroxy-2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl)acetaldehydeFormula:
C45H75O17NSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CCC(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1COC1OC(C)C(O)C(OC)C1OCAglycone:
CC1OC(O)CCC1O.CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 902.09 | Num_heavy_atoms: | 63 |
| TPSA: | 230.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD47206
Formula: C23H36O8
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1CO| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.53 | Num_heavy_atoms: | 31 |
| TPSA: | 133.66 | NumAromaticRings: | 0 |
