Glycoside
GD152455
Name:
Scillarenin 3-O-Beta-D-Glucopyranosyl-(1-4)-2'-O-Acetyl-Alpha-L-Rhamnopyr+Formula:
C38H54O14Smiles:
CC(=O)OC1C(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)OC(C)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
CC(=O)OC1C(O)OC(C)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 734.84 | Num_heavy_atoms: | 52 |
| TPSA: | 214.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD00497
Formula: C24H32O4
Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.52 | Num_heavy_atoms: | 28 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
