Glycoside
GD116410
Name:
5-(4-bromobuta-1,3-dien-1-yl)-1-hydroxy-13-({4-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy]-3,5-dimethoxy-6-methyloxan-2-yl}oxy)-2,7,10,10-tetramethyl-4,15-dioxabicyclo[9.3.1]pentadec-7-ene-3,9-dioneFormula:
C37H57O14BrSmiles:
COC1C(C)OC(OC2C(OC)C(C)OC(OC3CC4OC(O)(C3)C(C)C(=O)OC(C=CC=CBr)CC(C)=CC(=O)C4(C)C)C2OC)C(OC)C1OAglycone:
CC1=CC(=O)C(C)(C)C2CC(O)CC(O)(O2)C(C)C(=O)OC(C=CC=CBr)C1Sugarmoiety:
COC1C(C)OC(OC2C(OC)C(C)OC(O)C2OC)C(OC)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 805.75 | Num_heavy_atoms: | 52 |
| TPSA: | 166.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46220
Formula: C21H29O6Br
Smiles:
CC1=CC(=O)C(C)(C)C2CC(O)CC(O)(O2)C(C)C(=O)OC(C=CC=CBr)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 457.36 | Num_heavy_atoms: | 28 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
