Glycoside
GD142027
Name:
methyl 6-{15-hydroxy-5-methyl-19-oxapentacyclo[12.3.2.0¹,¹³.0²,¹â°.0âµ,â¹]nonadec-10-en-6-yl}-3-(hydroxymethyl)-2-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptanoateFormula:
C35H56O11Smiles:
COC(=O)C(C)C(CO)(CCC(C)C1CCC2C3=CCC4C5OCC4(CCC5O)C3CCC21C)OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C(C)C(O)(CO)CCC(C)C1CCC2C3=CCC4C5OCC4(CCC5O)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.82 | Num_heavy_atoms: | 46 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD57177
Formula: C29H46O6
Smiles:
COC(=O)C(C)C(O)(CO)CCC(C)C1CCC2C3=CCC4C5OCC4(CCC5O)C3CCC21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.68 | Num_heavy_atoms: | 35 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
