Glycoside
GD027145
Name:
NoneFormula:
C58H92O26Smiles:
COC(=O)C1OC(O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O)C(O)C5O)[C@H](O)C[C@]34C)C2(C)C)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(OC2OCC(O)C(O)C2O)C(O)C1O.COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.93 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 1205.35 | Num_heavy_atoms: | 84 |
| TPSA: | 398.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD00309
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD02756
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(OC2OCC(O)C(O)C2O)C(O)C1O.COC(=O)C1OC(O)C(O)C(O)C1O