Glycoside
GD144286
Name:
2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-9-[(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dioneFormula:
C35H56O13Smiles:
COC1CC(C)OC(OC2C(C)C=CC(=O)OC(C)C(COC3OC(C)C(O)C(OC)C3OC)C3OC3C=CC(=O)C(C)CC2C)C1OAglycone:
CC1CC(C)C(O)C(C)C=CC(=O)OC(C)C(CO)C2OC2C=CC1=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OC.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 684.82 | Num_heavy_atoms: | 48 |
| TPSA: | 160.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD57996
Formula: C20H30O6
Smiles:
CC1CC(C)C(O)C(C)C=CC(=O)OC(C)C(CO)C2OC2C=CC1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 366.45 | Num_heavy_atoms: | 26 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
