Glycoside
GD152234
Name:
NoneFormula:
C45H69O14N4Smiles:
CC(C)OC1C(OC2OC=C(C(=O)OC3CCC4(CCCC4)C3)C(C=CC3=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C3)C2C=C2CCCCC2)OC(CO)C(O)C1(O)OAglycone:
[NH2+]=C(NCCCO)NC1=C(C=CC2C(C(=O)OC3CCC4(CCCC4)C3)=COC(O)C2C=C2CCCCC2)CN(CCO)C=C1C(=O)OSugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.71 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 17 |
| MolWt: | 890.06 | Num_heavy_atoms: | 63 |
| TPSA: | 274.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD60633
Formula: C36H53O8N4
Smiles:
[NH2+]=C(NCCCO)NC1=C(C=CC2C(C(=O)OC3CCC4(CCCC4)C3)=COC(O)C2C=C2CCCCC2)CN(CCO)C=C1C(=O)O| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 12 |
| MolWt: | 669.84 | Num_heavy_atoms: | 48 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
