Glycoside
GD155009
Name:
NoneFormula:
C46H72O14N5Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C(C(=O)OC2CCC3(CCC4(CCCC4)C3CNC)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCC4(CCCC4)C3CNC)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: | 6 |
| HBD: | 12 | FractionCSP3: | 0.72 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 19 |
| MolWt: | 919.1 | Num_heavy_atoms: | 65 |
| TPSA: | 286.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD61523
Formula: C37H56O8N5
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCC4(CCCC4)C3CNC)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 14 |
| MolWt: | 698.88 | Num_heavy_atoms: | 50 |
| TPSA: | 198.44 | NumAromaticRings: | 0 |
