Glycoside

GD028866
Name:
NoneFormula:
C42H72O13Smiles:
C[C@@H]1C[C@H](O)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)OAglycone:
CC1CC(O)C2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 7 |
HBD: | 9 | FractionCSP3: | 1.0 |
AlogP: | 1.84 | Num_rotatable_bonds: | 6 |
MolWt: | 785.03 | Num_heavy_atoms: | 55 |
TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD18821
Formula: C30H52O3
Smiles:
CC1CC(O)C2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)OHBA: | 3 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 6.19 | Num_rotatable_bonds: | 0 |
MolWt: | 460.74 | Num_heavy_atoms: | 33 |
TPSA: | 60.69 | NumAromaticRings: | 0 |