Glycoside
GD015097
Name:
NoneFormula:
C42H68O14Smiles:
CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@H]3C1)[C@H](O)C[C@@H]1[C@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]3O)C(C)(C)[C@H]2CC[C@]14CAglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CC(O)C4(OC2=O)C3C1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00422
Formula: C30H48O4
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CC(O)C4(OC2=O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
