Glycoside
GD006030
Name:
NoneFormula:
C21H33O10N5Smiles:
CC(=O)N[C@@H]1CCN[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C1Aglycone:
CC(=O)NC1CCNC(CO)C1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -4.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 515.52 | Num_heavy_atoms: | 36 |
| TPSA: | 230.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD05028
Formula: C8H16O2N2
Smiles:
CC(=O)NC1CCNC(CO)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 61.36 | NumAromaticRings: | 0 |
