Glycoside
GD123927
Name:
methyl 3-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylateFormula:
C29H30O14Smiles:
COC(=O)c1c(OC2CC(C)(O)C(O)C(C)O2)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=OAglycone:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=OSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 602.55 | Num_heavy_atoms: | 43 |
| TPSA: | 226.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD49798
Formula: C22H18O11
Smiles:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.38 | Num_heavy_atoms: | 33 |
| TPSA: | 187.89 | NumAromaticRings: | 2 |
