Glycoside
GD145063
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]-3,8,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dioneFormula:
C34H54O14Smiles:
COC1CC(C)OC(OC2CCC(C)(O)C(=O)C=CC3OC3C(COC3OC(C)C(O)C(OC)C3OC)C(C)OC(=O)C=CC2C)C1OAglycone:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CCC1OSugarmoiety:
COC1C(O)OC(C)C(O)C1OC.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 686.79 | Num_heavy_atoms: | 48 |
| TPSA: | 181.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD48034
Formula: C19H28O7
Smiles:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CCC1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.43 | Num_heavy_atoms: | 26 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
