Glycoside
GD124660
Name:
Rotundioside WFormula:
C47H76O16Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC2O)C1Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 897.11 | Num_heavy_atoms: | 63 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50374
Formula: C30H48O3
Smiles:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC2O)C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
