Glycoside
GD011461
Name:
NoneFormula:
C30H29O4N5SSmiles:
OC[C@@H]1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Sc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(Sc3ccccc3)nc2NCC(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 555.66 | Num_heavy_atoms: | 40 |
| TPSA: | 125.55 | NumAromaticRings: | 5 |
Unique Aglycone
AD08764
Formula: C25H20N5S
Smiles:
C1=Nc2c(nc(Sc3ccccc3)nc2NCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 5.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.54 | Num_heavy_atoms: | 31 |
| TPSA: | 64.27 | NumAromaticRings: | 4 |
