Glycoside
GD024843
Name:
NoneFormula:
C38H58O12N8SSmiles:
NCC1OC(OC2C(CSCCNc3c4ccccc4nc4ccccc34)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1OAglycone:
CSCCNc1c2ccccc2nc2ccccc12.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 19 | FractionCSP3: | 0.66 |
| AlogP: | -4.34 | Num_rotatable_bonds: | 14 |
| MolWt: | 850.99 | Num_heavy_atoms: | 59 |
| TPSA: | 357.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD16538
Formula: C16H16N2S
Smiles:
CSCCNc1c2ccccc2nc2ccccc12| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.39 | Num_heavy_atoms: | 19 |
| TPSA: | 24.92 | NumAromaticRings: | 3 |
