Glycoside

GD029722
Name:
NoneFormula:
C42H66O13Smiles:
CO[C@H]1C[C@@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@@H]6[C@H]5CC[C@]57C(=O)O[C@H](C)[C@H]5CC[C@]67O)C4)C[C@H]3OC)C[C@@H]2OC)O[C@@H](C)[C@H]1OAglycone:
CC1OC(=O)C23CCC4C(CC=C5CC(O)CCC54C)C2(O)CCC13Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 8 |
HBD: | 2 | FractionCSP3: | 0.93 |
AlogP: | 4.57 | Num_rotatable_bonds: | 9 |
MolWt: | 778.98 | Num_heavy_atoms: | 55 |
TPSA: | 149.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD09737
Formula: C21H30O4
Smiles:
CC1OC(=O)C23CCC4C(CC=C5CC(O)CCC54C)C2(O)CCC13HBA: | 4 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.86 |
AlogP: | 2.97 | Num_rotatable_bonds: | 0 |
MolWt: | 346.47 | Num_heavy_atoms: | 25 |
TPSA: | 66.76 | NumAromaticRings: | 0 |