Glycoside
GD147001
Name:
6-cyclopentyl-5-hydroxy-4-(hydroxymethyl)-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C28H30O11Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(C3CCCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.54 | Num_heavy_atoms: | 39 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD58889
Formula: C22H20O7
Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(C3CCCC3)c(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.4 | Num_heavy_atoms: | 29 |
| TPSA: | 121.13 | NumAromaticRings: | 2 |
