Glycoside
GD132567
Name:
13-hydroxy-7,14-dimethoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(15),4,6,11,13-pentaene-3,10-dioneFormula:
C21H20O12Smiles:
COC1=C(OC2OCC(O)C(O)C2O)C=C2C(=O)Oc3c(OC)c(O)cc4c3C2C1OC4=OAglycone:
COC1=C(O)C=C2C(=O)Oc3c(OC)c(O)cc4c3C2C1OC4=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.38 | Num_heavy_atoms: | 33 |
| TPSA: | 170.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD53677
Formula: C16H12O8
Smiles:
COC1=C(O)C=C2C(=O)Oc3c(OC)c(O)cc4c3C2C1OC4=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
