Glycoside
GD036056
Name:
NoneFormula:
C27H25O6N3Smiles:
CO[C@@H]1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 487.51 | Num_heavy_atoms: | 36 |
| TPSA: | 128.97 | NumAromaticRings: | 5 |
Unique Aglycone
AD22775
Formula: C21H15O2N3
Smiles:
COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 341.37 | Num_heavy_atoms: | 26 |
| TPSA: | 69.91 | NumAromaticRings: | 5 |
