Glycoside
GD150602
Name:
NoneFormula:
C29H43O12N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OCC)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:
CCOC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -3.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 639.68 | Num_heavy_atoms: | 45 |
| TPSA: | 234.33 | 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 |
