Glycoside

GD005332
Name:
ARDISIANOSIDE CFormula:
C47H78O16Smiles:
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[C@]57OC[C@]8(CCC(C)(C)C[C@@H]58)[C@H](O)C[C@]76C)C4(C)C)[C@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 9 |
HBD: | 9 | FractionCSP3: | 1.0 |
AlogP: | 1.49 | Num_rotatable_bonds: | 7 |
MolWt: | 899.13 | Num_heavy_atoms: | 63 |
TPSA: | 246.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD04545
Formula: C30H50O3
Smiles:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1HBA: | 3 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 1.0 |
AlogP: | 6.35 | Num_rotatable_bonds: | 0 |
MolWt: | 458.73 | Num_heavy_atoms: | 33 |
TPSA: | 49.69 | NumAromaticRings: | 0 |