Glycoside
GD131543
Name:
6-[(6-{[4-(acetyloxy)-16-ethyl-15-{[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoateFormula:
C52H85O18NSmiles:
CCC1OC(=O)CC(OC(C)=O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1CC(OC)C(O)C(C)O1Aglycone:
CC(C)CC(=O)O.CCC1OC(=O)CC(OC(C)=O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 16 |
| MolWt: | 1012.24 | Num_heavy_atoms: | 71 |
| TPSA: | 241.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD05561
Formula: C25H38O8
Smiles:
CCC1OC(=O)CC(OC(C)=O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.57 | Num_heavy_atoms: | 33 |
| TPSA: | 127.2 | NumAromaticRings: | 0 |
