Glycoside
GD155988
Name:
4-{18-hydroxy-7-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-10,14-dimethyl-2-oxapentacyclo[9.7.0.0¹,³.0âµ,¹â°.0¹â´,¹â¸]octadecan-15-yl}-2,5-dihydrofuran-2-oneFormula:
C36H54O14Smiles:
COC1C(O)C(OC2CCC3(C)C(C2)CC2OC24C3CCC2(C)C(C3=CC(=O)OC3)CCC24O)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13OSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 710.81 | Num_heavy_atoms: | 50 |
| TPSA: | 206.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD44600
Formula: C23H32O5
Smiles:
CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
