Glycoside
GD023273
Name:
NoneFormula:
C32H28O9N4Smiles:
NC(=O)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(N)c1C(N)=OAglycone:
COC(=O)c1ccccc1.NC(=O)c1c[nH]c(N)c1C(N)=O.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.16 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 612.6 | Num_heavy_atoms: | 45 |
| TPSA: | 205.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD15672
Formula: C6H8O2N4
Smiles:
NC(=O)c1c[nH]c(N)c1C(N)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.16 | Num_heavy_atoms: | 12 |
| TPSA: | 127.99 | NumAromaticRings: | 1 |
