Glycoside
GD153229
Name:
methyl 4-[(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy]-2,5,7-trihydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateFormula:
C29H32O12Smiles:
COC(=O)C1c2cc3c(c(O)c2C(OC2OC(C)C(O)C(C)(O)C2OC)CC1(C)O)C(=O)c1c(O)cccc1C3=OAglycone:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cccc1C3=OSugarmoiety:
COC1C(O)OC(C)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD45591
Formula: C21H18O8
Smiles:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cccc1C3=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 398.37 | Num_heavy_atoms: | 29 |
| TPSA: | 141.36 | NumAromaticRings: | 2 |
