Glycoside
GD135742
Name:
NoneFormula:
C39H60O14N5Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)OC=C(C(=O)OC2CCC3(CCCC3)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCCC3)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Sugarmoiety:
CNCOC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 18 |
| MolWt: | 822.93 | Num_heavy_atoms: | 58 |
| TPSA: | 286.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD45565
Formula: C31H45O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCCC3)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 601.72 | Num_heavy_atoms: | 43 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
