Glycoside
GD138508
Name:
NoneFormula:
C40H60O14N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C(C(=O)OC2CCC3(CCCC3)C2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=N[C](N)NCCCOAglycone:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCCC3)C2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCOSugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.65 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 18 |
| MolWt: | 820.93 | Num_heavy_atoms: | 58 |
| TPSA: | 276.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD53518
Formula: C31H45O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCCC3)C2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCO| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 13 |
| MolWt: | 601.72 | Num_heavy_atoms: | 43 |
| TPSA: | 188.37 | NumAromaticRings: | 0 |
