Glycoside
GD142035
Name:
NoneFormula:
C29H44O14N5Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)OC=C(C(=O)OC)C1(O)C=CC1=C(NC(=[NH2+])NC)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1(O)C=CC1=C(NC(=[NH2+])NC)C(C(=O)O)=CN(CCO)C1Sugarmoiety:
CNCOC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -5.72 | Num_rotatable_bonds: | 14 |
| MolWt: | 686.69 | Num_heavy_atoms: | 48 |
| TPSA: | 286.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD50382
Formula: C21H29O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1(O)C=CC1=C(NC(=[NH2+])NC)C(C(=O)O)=CN(CCO)C1| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.48 | Num_heavy_atoms: | 33 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
