Glycoside
GD125731
Name:
NoneFormula:
C36H55O14N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C(C(=O)OC2CCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.64 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 17 |
| MolWt: | 767.85 | Num_heavy_atoms: | 54 |
| TPSA: | 274.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD48395
Formula: C27H39O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 547.63 | Num_heavy_atoms: | 39 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
