Glycoside
GD034378
Name:
NoneFormula:
C19H21O5N3SSmiles:
Cc1sc2ccccc2c1CNC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CNCc1c(C)sc2ccccc12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.46 | Num_heavy_atoms: | 28 |
| TPSA: | 116.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD13594
Formula: C11H13NS
Smiles:
CNCc1c(C)sc2ccccc12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.3 | Num_heavy_atoms: | 13 |
| TPSA: | 12.03 | NumAromaticRings: | 2 |
