Glycoside
GD132439
Name:
2-{[4,5-dihydroxy-2-({8-hydroxy-15-methyl-10,17-dioxo-11-oxapentacyclo[10.6.2.0²,â·.0â¹,¹â¹.0¹â¶,²â°]icosa-1,3,5,7,9(19),12(20),13,15-octaen-3-yl}oxy)-6-methyloxan-3-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetateFormula:
C35H36O14Smiles:
COC1C(O)C(C)OC(OC2C(Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c6c5c(c34)CC7=O)OC(C)C(O)C2O)C1OC(C)=OAglycone:
Cc1ccc2oc(=O)c3c(O)c4cccc(O)c4c4c3c2c1C(=O)C4Sugarmoiety:
COC1C(O)C(C)OC(OC2C(O)OC(C)C(O)C2O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.66 | Num_heavy_atoms: | 49 |
| TPSA: | 200.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD53624
Formula: C20H12O5
Smiles:
Cc1ccc2oc(=O)c3c(O)c4cccc(O)c4c4c3c2c1C(=O)C4| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 332.31 | Num_heavy_atoms: | 25 |
| TPSA: | 87.74 | NumAromaticRings: | 4 |
