Glycoside

GD031367
Name:
NoneFormula:
C38H56O12Smiles:
CC(=O)O[C@@H]1C[C@]23C[C@]24CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]4CC=C3[C@]2(C)C[C@]3(O)O[C@H](C(=O)[C@@H]4OC4(C)C)[C@H](C)[C@H]3[C@]12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3(O)OC(C(=O)C4OC4(C)C)C(C)C3C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 8 |
HBD: | 5 | FractionCSP3: | 0.89 |
AlogP: | 2.15 | Num_rotatable_bonds: | 6 |
MolWt: | 704.85 | Num_heavy_atoms: | 50 |
TPSA: | 184.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD20218
Formula: C32H46O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3(O)OC(C(=O)C4OC4(C)C)C(C)C3C12CHBA: | 7 | RingCount: | 7 |
HBD: | 2 | FractionCSP3: | 0.88 |
AlogP: | 4.33 | Num_rotatable_bonds: | 3 |
MolWt: | 542.71 | Num_heavy_atoms: | 39 |
TPSA: | 105.59 | NumAromaticRings: | 0 |