Glycoside
GD003760
Name:
TribulosinFormula:
C55H90O25Smiles:
CC1OC(OC2C(O[C@@H]3CC[C@]4(C)[C@H](CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@H](C)CO8)[C@H](C)[C@H]7[C@]6(C)CC[C@H]54)C3)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 11 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 1151.3 | Num_heavy_atoms: | 80 |
| TPSA: | 373.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD01572
Formula: C27H44O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
Sugarmoiety
SD00773
CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O