Glycoside
GD118505
Name:
NoneFormula:
C34H52O14N5Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)OC=C(C(=O)OC2CCCCC2)C1(O)C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCAglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1(O)C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCSugarmoiety:
CNCOC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -4.02 | Num_rotatable_bonds: | 15 |
| MolWt: | 754.81 | Num_heavy_atoms: | 53 |
| TPSA: | 286.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD47393
Formula: C26H37O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1(O)C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NC| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 533.6 | Num_heavy_atoms: | 38 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
