Glycoside
GD129028
Name:
7-Oxo-K252DFormula:
C26H21O6N3Smiles:
CC1OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(O)=NC4=O)C(O)C(O)C1OAglycone:
O=C1N=C(O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 471.47 | Num_heavy_atoms: | 35 |
| TPSA: | 140.3 | NumAromaticRings: | 5 |
Unique Aglycone
AD48840
Formula: C20H11O2N3
Smiles:
O=C1N=C(O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 325.33 | Num_heavy_atoms: | 25 |
| TPSA: | 81.24 | NumAromaticRings: | 5 |
