Glycoside
GD149977
Name:
6,7-dihydroxy-1a-(3-methylbut-2-en-1-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1aH,2H,7H,7aH-naphtho[2,3-b]oxiren-2-oneFormula:
C21H26O10Smiles:
CC(C)=CCC12OC1C(O)c1c(O)ccc(OC3OC(CO)C(O)C(O)C3O)c1C2=OAglycone:
CC(C)=CCC12OC1C(O)c1c(O)ccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 169.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD59943
Formula: C15H16O5
Smiles:
CC(C)=CCC12OC1C(O)c1c(O)ccc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
