Glycoside
GD116293
Name:
NoneFormula:
C31H47O13N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OCC)OC=C(C(=O)OC)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Sugarmoiety:
CCOC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | -3.56 | Num_rotatable_bonds: | 16 |
| MolWt: | 683.73 | Num_heavy_atoms: | 48 |
| TPSA: | 254.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD46148
Formula: C23H33O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 493.54 | Num_heavy_atoms: | 35 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
