Glycoside
GD157394
Name:
6-{[4-(dimethylamino)-5-hydroxy-6-{[4-hydroxy-5-methoxy-10,17-dimethyl-2,11-dioxo-8-(2-oxoethyl)-1-oxacycloheptadeca-12,14-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoateFormula:
C41H67O14NSmiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)CC1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1OAglycone:
CC(C)CC(=O)O.COC1C(O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)CC1OSugarmoiety:
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: | 0.8 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 797.98 | Num_heavy_atoms: | 56 |
| TPSA: | 196.82 | 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 |
AD62230
Formula: C21H32O7
Smiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)CC1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
