Glycoside
GD119481
Name:
NoneFormula:
C27H39O13N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2O)OC=C(C(=O)OC)C1C=CC1=C(NC(=[NH2+])NC)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=C(NC(=[NH2+])NC)C(C(=O)O)=CN(CCO)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -5.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 627.62 | Num_heavy_atoms: | 44 |
| TPSA: | 265.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD45698
Formula: C21H29O7N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=C(NC(=[NH2+])NC)C(C(=O)O)=CN(CCO)C1| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 449.48 | Num_heavy_atoms: | 32 |
| TPSA: | 166.18 | NumAromaticRings: | 0 |
