Glycoside

GD005308
Name:
Ardisicrenoside GFormula:
C53H86O23Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CO[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7C[C@@](C)(C(=O)O)CC[C@@]7(CO)[C@H](O)C[C@]56C)C4(C)C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C(=O)O)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 23 | RingCount: | 9 |
HBD: | 14 | FractionCSP3: | 0.94 |
AlogP: | -1.86 | Num_rotatable_bonds: | 12 |
MolWt: | 1091.25 | Num_heavy_atoms: | 76 |
TPSA: | 374.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD04531
Formula: C30H48O5
Smiles:
CC1(C(=O)O)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 5 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.9 |
AlogP: | 5.18 | Num_rotatable_bonds: | 2 |
MolWt: | 488.71 | Num_heavy_atoms: | 35 |
TPSA: | 97.99 | NumAromaticRings: | 0 |