Glycoside
GD105854
Name:
NoneFormula:
C23H33O14N6Smiles:
C/C=C1\CN(C(=O)[C@@H](NC(=O)[C@@H]([NH3+])[C@H](O)[C@@H](O)COC(N)=O)[C@H]2O[C@@H](n3cc(CO)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H]1C(=O)OAglycone:
CC=C1CN(C(=O)CNC(=O)C([NH3+])C(O)C(O)COC(N)=O)C1C(=O)O.O=c1[nH]cc(CO)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.57 |
| AlogP: | -7.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 617.55 | Num_heavy_atoms: | 43 |
| TPSA: | 331.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00386
Formula: C5H6O3N2
Smiles:
O=c1[nH]cc(CO)c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 85.95 | NumAromaticRings: | 1 |
AD44081
Formula: C14H23O8N4
Smiles:
CC=C1CN(C(=O)CNC(=O)C([NH3+])C(O)C(O)COC(N)=O)C1C(=O)O| HBA: | 12 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -4.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 375.36 | Num_heavy_atoms: | 26 |
| TPSA: | 207.13 | NumAromaticRings: | 0 |
