Glycoside
GD119671
Name:
NoneFormula:
C34H51O14N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -3.58 | Num_rotatable_bonds: | 15 |
| MolWt: | 739.8 | Num_heavy_atoms: | 52 |
| TPSA: | 285.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD45580
Formula: C28H41O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 12 |
| MolWt: | 561.66 | Num_heavy_atoms: | 40 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
