Glycoside
GD141246
Name:
6-[(6-{[4-(acetyloxy)-8-formyl-5-methoxy-10,17-dimethyl-2,11-dioxo-1-oxacycloheptadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoateFormula:
C42H67O15NSmiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(C=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(C=O)CC(C)C(=O)C=CC=CCC(C)OC(=O)CC1OC(C)=OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 825.99 | Num_heavy_atoms: | 58 |
| TPSA: | 202.89 | 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 |
AD56917
Formula: C22H32O8
Smiles:
COC1C(O)CC(C=O)CC(C)C(=O)C=CC=CCC(C)OC(=O)CC1OC(C)=O| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.49 | Num_heavy_atoms: | 30 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
