Glycoside
GD153538
Name:
4-hydroxy-15-({5-hydroxy-3-methoxy-4-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,8,8,14-tetramethyl-9-(5-methylhexa-1,3-dien-1-yl)-10,17,18-trioxatricyclo[11.3.1.1â´,â·]octadecane-3,11-dioneFormula:
C41H66O15Smiles:
COC1C(C)OC(OC2C(O)COC(OC3CC4CC(=O)C5(O)OC(CC5C)C(C)(C)C(C=CC=CC(C)C)OC(=O)CC(O4)C3C)C2OC)C(OC)C1OCAglycone:
CC(C)C=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2CSugarmoiety:
COC1C(C)OC(OC2C(O)COC(O)C2OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 798.96 | Num_heavy_atoms: | 56 |
| TPSA: | 176.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD16653
Formula: C26H40O7
Smiles:
CC(C)C=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2C| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.6 | Num_heavy_atoms: | 33 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
