Glycoside
GD137198
Name:
2-acetyl-12a-({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5,5-dihydroxy-6-methyloxan-2-yl}oxy)-3,8,10,11-tetrahydroxy-4-methoxy-9-methyl-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dioneFormula:
C34H40O16Smiles:
COC1C(O)=C(C(C)=O)C(=O)C2(OC3CC(OC4CC(O)C(O)C(C)O4)C(O)(O)C(C)O3)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12Aglycone:
COC1C(O)=C(C(C)=O)C(=O)C2(O)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12Sugarmoiety:
CC1OC(OC2CC(O)OC(C)C2(O)O)CC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 704.68 | Num_heavy_atoms: | 50 |
| TPSA: | 259.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD24585
Formula: C22H20O9
Smiles:
COC1C(O)=C(C(C)=O)C(=O)C2(O)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.39 | Num_heavy_atoms: | 31 |
| TPSA: | 161.59 | NumAromaticRings: | 2 |
