Glycoside
GD116404
Name:
1,10-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-oneFormula:
C27H32O14Smiles:
Cc1cc(O)c2c(c1)C(O)(C1OC(CO)C(O)C(O)C1O)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 247.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD02653
Formula: C15H12O4
Smiles:
Cc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
