Glycoside
GD143571
Name:
6-{[4-(dimethylamino)-5-hydroxy-6-{[4-hydroxy-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 2-methylpropanoateFormula:
C39H63O14NSmiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)C(C)C)C(C)O2)C(N(C)C)C1OAglycone:
CC(C)C(=O)O.COC1C(O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 769.93 | Num_heavy_atoms: | 54 |
| TPSA: | 196.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD57739
Formula: C20H30O7
Smiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.45 | Num_heavy_atoms: | 27 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
