Glycoside
GD115315
Name:
methyl 4-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-2,5,7-trihydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateFormula:
C33H38O14Smiles:
COC(=O)C1c2cc3c(c(O)c2C(OC2CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O2)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:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 658.65 | Num_heavy_atoms: | 47 |
| TPSA: | 218.74 | 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 |
