Glycoside

GD011386
Name:
CAMELLIOSIDEFormula:
C55H86O25Smiles:
CC(=O)O[C@@H]1[C@H](CO)O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)C(CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(O)C(=O)C[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(CO)OC(OC2C(O)OC(C(=O)O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 25 | RingCount: | 9 |
HBD: | 13 | FractionCSP3: | 0.91 |
AlogP: | -1.97 | Num_rotatable_bonds: | 13 |
MolWt: | 1147.27 | Num_heavy_atoms: | 80 |
TPSA: | 397.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD04485
Formula: C29H46O3
Smiles:
CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 3 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.9 |
AlogP: | 6.07 | Num_rotatable_bonds: | 0 |
MolWt: | 442.68 | Num_heavy_atoms: | 32 |
TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety

SD01645
CC(=O)OC1C(CO)OC(OC2C(O)OC(C(=O)O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O