Glycoside
GD154421
Name:
NoneFormula:
C48H84O16N2Smiles:
COCC1OC(OC2(C)CCC(C(C)(C)O)OC2CCC(C)=CCCC=C(C)CCC2OC(C(C)(C)O)CCC2(C)OC2OC(COC)C(O)C(O)C2N=C(C)O)C(N=C(C)O)C(O)C1OAglycone:
CC(=CCCC=C(C)CCC1OC(C(C)(C)O)CCC1(C)O)CCC1OC(C(C)(C)O)CCC1(C)OSugarmoiety:
COCC1OC(O)C(N=C(C)O)C(O)C1O.COCC1OC(O)C(N=C(C)O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 21 |
| MolWt: | 945.2 | Num_heavy_atoms: | 66 |
| TPSA: | 260.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD47411
Formula: C30H54O6
Smiles:
CC(=CCCC=C(C)CCC1OC(C(C)(C)O)CCC1(C)O)CCC1OC(C(C)(C)O)CCC1(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 510.76 | Num_heavy_atoms: | 36 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
