Glycoside
GD126082
Name:
4-({3-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.0²,â·.0â¹,¹â¹.0¹â¶,²â°]icosa-1,3,5,7,9(19),12,14,16(20)-octaene-10,17-dioneFormula:
C32H32O14Smiles:
COC1C(O)C(C)OC(OC2C(Oc3ccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c4c3)c5c67)OC(C)C(O)C2O)C1OAglycone:
Cc1ccc2oc(=O)c3c(O)c4ccc(O)cc4c4oc(=O)c1c2c34Sugarmoiety:
COC1C(O)C(C)OC(OC2C(O)OC(C)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 640.59 | Num_heavy_atoms: | 46 |
| TPSA: | 207.72 | NumAromaticRings: | 5 |
Unique Aglycone
AD50997
Formula: C19H10O6
Smiles:
Cc1ccc2oc(=O)c3c(O)c4ccc(O)cc4c4oc(=O)c1c2c34| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 334.28 | Num_heavy_atoms: | 25 |
| TPSA: | 100.88 | NumAromaticRings: | 5 |
