Glycoside
GD155314
Name:
15-chloro-8-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-13,14-dihydroxy-1,12-dimethyl-6-(propan-2-yl)-5,10-dioxatetracyclo[7.6.1.0²,â·.0¹²,¹â¶]hexadeca-2,6-diene-4,11-dioneFormula:
C25H31O11ClSmiles:
CC(C)c1oc(=O)cc2c1C(OC1OCC(O)(CO)C1O)C1OC(=O)C3(C)C(O)C(O)C(Cl)C2(C)C13Aglycone:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)C(O)C(O)C(Cl)C2(C)C13Sugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.95 | Num_heavy_atoms: | 36 |
| TPSA: | 176.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD61614
Formula: C20H23O7Cl
Smiles:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)C(O)C(O)C(Cl)C2(C)C13| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 398.84 | Num_heavy_atoms: | 27 |
| TPSA: | 117.2 | NumAromaticRings: | 1 |
