Glycoside
GD154519
Name:
4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,â·.0â´,¹â¹.0¹³,¹â¸]nonadec-14-en-9-oneFormula:
C26H36O14Smiles:
C=C1C(O)C2(O)OCC34C(CC5C(C)=CC(OC6OC(CO)C(O)C(O)C6O)C(O)C5(C)C23)OC(=O)C(O)C14OAglycone:
C=C1C(O)C2(O)OCC34C(CC5C(C)=CC(O)C(O)C5(C)C23)OC(=O)C(O)C14OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -4.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 572.56 | Num_heavy_atoms: | 40 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD61364
Formula: C20H26O9
Smiles:
C=C1C(O)C2(O)OCC34C(CC5C(C)=CC(O)C(O)C5(C)C23)OC(=O)C(O)C14O| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 410.42 | Num_heavy_atoms: | 29 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
