Glycoside
GD139711
Name:
Naringenin 7-[3-Acetyl-6-P-Coumaroylglucoside]Formula:
C32H30O13Smiles:
CC(=O)OC1C(O)C(COC(=O)C=Cc2ccc(O)cc2)OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.58 | Num_heavy_atoms: | 45 |
| TPSA: | 198.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
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 |
