Glycoside
GD146404
Name:
NoneFormula:
C37H57O13N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(C)C)OC=C(C(=O)OC2CCCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCOAglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCOSugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.65 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 17 |
| MolWt: | 765.88 | Num_heavy_atoms: | 54 |
| TPSA: | 254.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD58069
Formula: C28H41O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCO| 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 |
