Glycoside
GD151876
Name:
3-(4-{11-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-8,10,12-trimethyltrideca-2,4,6,8-tetraenoyl}-3-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)propanoic acidFormula:
C30H43O9NSmiles:
CC(C=CC=CC=CC(=O)C1=C(O)C(CCC(=O)O)N(C)C1=O)=CC(C)C(OC1CC(O)C(O)C(C)O1)C(C)CAglycone:
CC(C=CC=CC=CC(=O)C1=C(O)C(CCC(=O)O)N(C)C1=O)=CC(C)C(O)C(C)CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 13 |
| MolWt: | 561.67 | Num_heavy_atoms: | 40 |
| TPSA: | 153.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD60524
Formula: C24H33O6N
Smiles:
CC(C=CC=CC=CC(=O)C1=C(O)C(CCC(=O)O)N(C)C1=O)=CC(C)C(O)C(C)C| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 431.53 | Num_heavy_atoms: | 31 |
| TPSA: | 115.14 | NumAromaticRings: | 0 |
