Glycoside
GD136310
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O12Smiles:
CC1OC(OC2C(Oc3ccc4c(c3)OC(c3ccccc3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1CC(c2ccccc2)Oc2cc(O)ccc21Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 548.54 | Num_heavy_atoms: | 39 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD38135
Formula: C15H12O3
Smiles:
O=C1CC(c2ccccc2)Oc2cc(O)ccc21| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.26 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
