Glycoside
GD118533
Name:
4,5-bis(acetyloxy)-6-({25-[4-(acetyloxy)-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-2-hydroxy-2,6,10,14,19,23-hexamethylpentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-3-yl}oxy)-2-methyloxan-3-yl acetateFormula:
C54H72O12Smiles:
CC(=O)OC1CC(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(C)(C)O)=C(C)C1=OAglycone:
CC(=O)OC1CC(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=C(C)C1=OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 10.0 | Num_rotatable_bonds: | 19 |
| MolWt: | 913.16 | Num_heavy_atoms: | 66 |
| TPSA: | 160.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD47412
Formula: C42H56O5
Smiles:
CC(=O)OC1CC(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=C(C)C1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 9.43 | Num_rotatable_bonds: | 14 |
| MolWt: | 640.91 | Num_heavy_atoms: | 47 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
