Glycoside
GD035392
Name:
NoneFormula:
C41H62O11Smiles:
Cc1c(CCC(C)CO)ccc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@]43C)[C@H]1C2Aglycone:
Cc1c(CCC(C)CO)ccc2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 730.94 | Num_heavy_atoms: | 52 |
| TPSA: | 178.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD22394
Formula: C29H42O2
Smiles:
Cc1c(CCC(C)CO)ccc2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.65 | Num_heavy_atoms: | 31 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
