Glycoside
GD125001
Name:
methyl 3,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,â¶.0²,¹â·.0â¸,¹³]nonadec-11-ene-17-carboxylateFormula:
C27H36O15Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(OC6OC(CO)C(O)C(O)C6O)=CC5(C)C3C(O)C1O)OC(=O)C(O)C24Aglycone:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(O)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 600.57 | Num_heavy_atoms: | 42 |
| TPSA: | 238.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD50543
Formula: C21H26O10
Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(O)C24| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
