Glycoside
GD153710
Name:
Scillarenin 3-O-Beta-D-GlucopyranosideFormula:
C30H42O9Smiles:
CC12CCC(OC3OC(CO)C(O)C(O)C3O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12OAglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.66 | Num_heavy_atoms: | 39 |
| TPSA: | 149.82 | 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 |
