Glycoside
GD123644
Name:
Periandradulcin BFormula:
C47H74O17Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C=O)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C=O)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 911.09 | Num_heavy_atoms: | 64 |
| TPSA: | 271.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD49917
Formula: C30H48O3
Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C=O)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
