Glycoside
GD153263
Name:
Pittoside AFormula:
C41H68O13Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)C(O)C5(CO)CC(O)C34C)C2(C)C)C(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)CC2(CO)C(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD60969
Formula: C30H50O5
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)CC2(CO)C(O)C1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
