Glycoside
GD147737
Name:
6-hydroxy-3-(23-hydroxy-3,7,12,16,20,24-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl)-2,4,4-trimethylcyclohex-2-en-1-oneFormula:
C46H64O9Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)CAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 6.69 | Num_rotatable_bonds: | 16 |
| MolWt: | 761.01 | Num_heavy_atoms: | 55 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50459
Formula: C40H54O4
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 8.86 | Num_rotatable_bonds: | 13 |
| MolWt: | 598.87 | Num_heavy_atoms: | 44 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
