Glycoside
GD127389
Name:
12-hydroxy-2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-9-[(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,12-dimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dioneFormula:
C33H52O14Smiles:
COC1CC(C)OC(OC2CC=CC(=O)OC(C)C(COC3OC(C)C(O)C(OC)C3OC)C3OC3C=CC(=O)C(C)(O)CC2)C1OAglycone:
CC1OC(=O)C=CCC(O)CCC(C)(O)C(=O)C=CC2OC2C1COSugarmoiety:
COC1C(O)OC(C)C(O)C1OC.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 672.77 | Num_heavy_atoms: | 47 |
| TPSA: | 181.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD51588
Formula: C18H26O7
Smiles:
CC1OC(=O)C=CCC(O)CCC(C)(O)C(=O)C=CC2OC2C1CO| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.4 | Num_heavy_atoms: | 25 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
