Glycoside
GD148785
Name:
Inermiside IFormula:
C47H76O17Smiles:
CC1OC(OC(=O)C23CCC4=C(CCC5C4(C)CCC4C(C)(C)C(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC54C)C2CC(C)(C)CC3)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 913.11 | Num_heavy_atoms: | 64 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47165
Formula: C29H46O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
