Glycoside
GD135128
Name:
NoneFormula:
C40H61O15N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C(C(=O)OC2CCC3(CCCC3O)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCCC3O)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.68 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 17 |
| MolWt: | 837.94 | Num_heavy_atoms: | 59 |
| TPSA: | 295.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD54651
Formula: C31H45O9N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCCC3O)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 12 |
| MolWt: | 617.72 | Num_heavy_atoms: | 44 |
| TPSA: | 206.64 | NumAromaticRings: | 0 |
