Glycoside
GD019020
Name:
NoneFormula:
C26H21O9N3Smiles:
O=C1NC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1c2c2ccc(O)cc2n1C1OC(CO)C(O)C(O)C1OAglycone:
O=C1NC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3cc(O)ccc3c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 519.47 | Num_heavy_atoms: | 38 |
| TPSA: | 197.5 | NumAromaticRings: | 5 |
Unique Aglycone
AD13328
Formula: C20H11O4N3
Smiles:
O=C1NC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3cc(O)ccc3c21| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 357.33 | Num_heavy_atoms: | 27 |
| TPSA: | 118.21 | NumAromaticRings: | 5 |
