Glycoside
GD033719
Name:
NoneFormula:
C52H79O13N9S2Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)O[C@H]2CSCCNC(=S)NCCCCCCNC(=O)CCCc2ccc3ccc4cccc5ccc2c3c45)[C@H](N)[C@H](O)[C@H]1OAglycone:
CSCCNC(=S)NCCCCCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34.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: | 22 | RingCount: | 8 |
| HBD: | 21 | FractionCSP3: | 0.65 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 24 |
| MolWt: | 1102.39 | Num_heavy_atoms: | 76 |
| TPSA: | 386.04 | NumAromaticRings: | 4 |
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 |
AD21504
Formula: C30H37ON3S2
Smiles:
CSCCNC(=S)NCCCCCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 14 |
| MolWt: | 519.78 | Num_heavy_atoms: | 36 |
| TPSA: | 53.16 | NumAromaticRings: | 4 |
