Glycoside
GD133759
Name:
NoneFormula:
C42H66O14N5Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C(C(=O)OC2CCC3(CCCC3CNC)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCCC3CNC)C2)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: | 19 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.69 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 19 |
| MolWt: | 865.01 | Num_heavy_atoms: | 61 |
| TPSA: | 286.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD54122
Formula: C33H50O8N5
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCCC3CNC)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 14 |
| MolWt: | 644.79 | Num_heavy_atoms: | 46 |
| TPSA: | 198.44 | NumAromaticRings: | 0 |
