Glycoside

GD017521
Name:
NoneFormula:
C48H80O15Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@H]4[C@@H]6[C@@H]7OC[C@@]6(CCC7(C)C)CC[C@]45C)C3(C)C)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C1OC3Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 9 |
HBD: | 8 | FractionCSP3: | 1.0 |
AlogP: | 2.77 | Num_rotatable_bonds: | 7 |
MolWt: | 897.15 | Num_heavy_atoms: | 63 |
TPSA: | 226.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD04006
Formula: C30H50O2
Smiles:
CC1(C)CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C1OC3HBA: | 2 | RingCount: | 6 |
HBD: | 1 | FractionCSP3: | 1.0 |
AlogP: | 7.24 | Num_rotatable_bonds: | 0 |
MolWt: | 442.73 | Num_heavy_atoms: | 32 |
TPSA: | 29.46 | NumAromaticRings: | 0 |