Glycoside
GD127962
Name:
NoneFormula:
C33H49O13N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCOAglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 15 |
| MolWt: | 709.77 | Num_heavy_atoms: | 50 |
| TPSA: | 265.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD50890
Formula: C27H39O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCO| 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 |
