Glycoside

GD017355
Name:
NoneFormula:
C37H56O10Smiles:
CC(=O)O[C@@H]1[C@H](O[C@@H]2CC[C@@]34C[C@@]35CC[C@]3(C)[C@@H]6[C@H](C)C[C@@H]7O[C@@]6(O[C@H]7C(C)(C)O)[C@H](O)[C@@]3(C)C5=CC[C@H]4C2(C)C)OC[C@H](O)[C@H]1OAglycone:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 8 |
HBD: | 4 | FractionCSP3: | 0.92 |
AlogP: | 3.61 | Num_rotatable_bonds: | 4 |
MolWt: | 660.85 | Num_heavy_atoms: | 47 |
TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD12392
Formula: C30H46O5
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3OHBA: | 5 | RingCount: | 7 |
HBD: | 3 | FractionCSP3: | 0.93 |
AlogP: | 4.58 | Num_rotatable_bonds: | 1 |
MolWt: | 486.69 | Num_heavy_atoms: | 35 |
TPSA: | 79.15 | NumAromaticRings: | 0 |