Glycoside
GD132454
Name:
13,18-dihydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0âµ,¹â°.0¹â´,¹â¸]octadecan-12-oneFormula:
C36H52O15Smiles:
COC1CC(OC2CCC3(C)C(C2)CC2OC24C3C(=O)C(O)C2(C)C(C3=CC(=O)OC3)CCC24O)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CC1OC13C2C(=O)C(O)C1(C)C(C2=CC(=O)OC2)CCC13OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 724.8 | Num_heavy_atoms: | 51 |
| TPSA: | 223.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD44376
Formula: C23H30O7
Smiles:
CC12CCC(O)CC1CC1OC13C2C(=O)C(O)C1(C)C(C2=CC(=O)OC2)CCC13O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 418.49 | Num_heavy_atoms: | 30 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
