Glycoside
GD114935
Name:
3-(4-{13-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-10,12,14-trimethylpentadeca-2,4,6,8,10-pentaenoyl}-3-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)propanoic acidFormula:
C32H45O9NSmiles:
CC(C=CC=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=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: | 0.53 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 14 |
| MolWt: | 587.71 | Num_heavy_atoms: | 42 |
| TPSA: | 153.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD45371
Formula: C26H35O6N
Smiles:
CC(C=CC=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: | 0.42 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 457.57 | Num_heavy_atoms: | 33 |
| TPSA: | 115.14 | NumAromaticRings: | 0 |
