Glycoside
GD136940
Name:
NoneFormula:
C32H49O13N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(C)C)OC=C(C(=O)OC)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCOAglycone:
C=CC1C(O)OC=C(C(=O)OC)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: | 3 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 16 |
| MolWt: | 697.76 | Num_heavy_atoms: | 49 |
| TPSA: | 254.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD49088
Formula: C23H33O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCO| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 493.54 | Num_heavy_atoms: | 35 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
