Glycoside
GD150450
Name:
7-hydroxy-1,3-dimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-5,10-dioneFormula:
C21H26O10Smiles:
CC1CC2C(=O)c3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3C(=O)C2C(C)O1Aglycone:
CC1CC2C(=O)c3cc(O)cc(O)c3C(=O)C2C(C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD60098
Formula: C15H16O5
Smiles:
CC1CC2C(=O)c3cc(O)cc(O)c3C(=O)C2C(C)O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
