Glycoside
GD141210
Name:
Kudinoside EFormula:
C53H82O22Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 11 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 1071.22 | Num_heavy_atoms: | 75 |
| TPSA: | 342.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD47224
Formula: C30H44O4
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
