Glycoside
GD116507
Name:
NoneFormula:
C32H46O12NSmiles:
CCOC1C(OC2OC=C(C(=O)OC)C(C=CC3=CC(C(=O)O)=C[NH+](CCO)C3)C2C=C2CCCCC2)OC(CO)C(O)C1OAglycone:
COC(=O)C1=COC(O)C(C=C2CCCCC2)C1C=CC1=CC(C(=O)O)=C[NH+](CCO)C1Sugarmoiety:
CCOC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 12 |
| MolWt: | 636.72 | Num_heavy_atoms: | 45 |
| TPSA: | 185.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD46279
Formula: C24H32O7N
Smiles:
COC(=O)C1=COC(O)C(C=C2CCCCC2)C1C=CC1=CC(C(=O)O)=C[NH+](CCO)C1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.52 | Num_heavy_atoms: | 32 |
| TPSA: | 117.73 | NumAromaticRings: | 0 |
