Glycoside
GD149291
Name:
Scillarenin 3-O-Alpha-L-Rhamnopyranosyl-(1-4)-Alpha-L-RhamnopyranosideFormula:
C36H52O13Smiles:
CC1OC(OC2C(C)OC(OC3C=C4CCC5(O)C(CCC6(C)C(c7ccc(=O)oc7)CCC65O)C4(C)CC3)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC(O)C=C1CCC1(O)C2CCC2(C)C(c3ccc(=O)oc3)CCC21OSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 692.8 | Num_heavy_atoms: | 49 |
| TPSA: | 208.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD46101
Formula: C24H32O5
Smiles:
CC12CCC(O)C=C1CCC1(O)C2CCC2(C)C(c3ccc(=O)oc3)CCC21O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
