Glycoside
GD012687
Name:
NoneFormula:
C18H23O11N5Smiles:
COC(=O)C=CC(=O)NC[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=CC(=O)NCC(N)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -5.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 485.41 | Num_heavy_atoms: | 34 |
| TPSA: | 252.37 | 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 |
AD09542
Formula: C10H15O6N3
Smiles:
COC(=O)C=CC(=O)NCC(N)C(=O)NCC(=O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 273.25 | Num_heavy_atoms: | 19 |
| TPSA: | 147.82 | NumAromaticRings: | 0 |
