Glycoside
GD147864
Name:
15-({3,5-dimethoxy-4-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-5,8,8,14-tetramethyl-9-(7-methylocta-1,3,5-trien-1-yl)-10,17,18-trioxatricyclo[11.3.1.1â´,â·]octadecane-3,11-dioneFormula:
C44H70O15Smiles:
COC1COC(OC2CC3CC(=O)C4(O)OC(CC4C)C(C)(C)C(C=CC=CC=CC(C)C)OC(=O)CC(O3)C2C)C(OC)C1OC1OC(C)C(OC)C(OC)C1OCAglycone:
CC(C)C=CC=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2CSugarmoiety:
COC1COC(O)C(OC)C1OC1OC(C)C(OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 13 |
| MolWt: | 839.03 | Num_heavy_atoms: | 59 |
| TPSA: | 165.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD16283
Formula: C28H42O7
Smiles:
CC(C)C=CC=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2C| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
