Glycoside
GD075944
Name:
NoneFormula:
C18H23O7N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cc(=O)n(-c2ccccc2)[nH]1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 393.4 | Num_heavy_atoms: | 28 |
| TPSA: | 146.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD35148
Formula: C12H13O3N3
Smiles:
O=C(NCCO)c1cc(=O)n(-c2ccccc2)[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.25 | Num_heavy_atoms: | 18 |
| TPSA: | 87.12 | NumAromaticRings: | 2 |
