Glycoside
GD123398
Name:
methyl 6-{15-hydroxy-5-methyl-19-oxapentacyclo[12.3.2.0¹,¹³.0²,¹â°.0âµ,â¹]nonadec-10-en-6-yl}-2-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-4-enoateFormula:
C34H52O10Smiles:
COC(=O)C(C)C(C=CC(C)C1CCC2C3=CCC4C5OCC4(CCC5O)C3CCC21C)OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C(C)C(O)C=CC(C)C1CCC2C3=CCC4C5OCC4(CCC5O)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 620.78 | Num_heavy_atoms: | 44 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49793
Formula: C28H42O5
Smiles:
COC(=O)C(C)C(O)C=CC(C)C1CCC2C3=CCC4C5OCC4(CCC5O)C3CCC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.64 | Num_heavy_atoms: | 33 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
