Glycoside
GD152770
Name:
Rotundioside LFormula:
C47H76O17Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C(O)C=C3C5CC(C)(C)CCC5(CO)C5OC5C34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
CC1(C)CCC2(CO)C(C1)C1=CC(O)C3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C1OC12Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 913.11 | Num_heavy_atoms: | 64 |
| TPSA: | 270.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD52409
Formula: C30H48O4
Smiles:
CC1(C)CCC2(CO)C(C1)C1=CC(O)C3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C1OC12| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 73.22 | NumAromaticRings: | 0 |
