Glycoside
GD120414
Name:
Tupisteroide BFormula:
C33H52O14Smiles:
C=C(CCC1=C(C)C2C(CC3C4C(O)C(O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC32C)O1)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1=C(C)C2C(CC3C4C(O)C(O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC32C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.88 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 672.77 | Num_heavy_atoms: | 47 |
| TPSA: | 250.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD48372
Formula: C27H42O9
Smiles:
C=C(CO)CCC1=C(C)C2C(CC3C4C(O)C(O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC32C)O1| HBA: | 9 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.62 | Num_heavy_atoms: | 36 |
| TPSA: | 171.07 | NumAromaticRings: | 0 |
