Glycoside
GD123445
Name:
NoneFormula:
C35H54O14N5Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)OC=C(C(=O)OC2CCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Sugarmoiety:
CNCOC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.63 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 18 |
| MolWt: | 768.84 | Num_heavy_atoms: | 54 |
| TPSA: | 286.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD48395
Formula: C27H39O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 547.63 | Num_heavy_atoms: | 39 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
