Glycoside
GD146015
Name:
5,7-dihydroxy-2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O9Smiles:
CC1OC(Oc2ccc(C3CC(=O)c4c(O)cc(O)cc4O3)cc2)C(O)C(O)C1OAglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD03294
Formula: C15H12O5
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
