Glycoside
GD000508
Name:
NoneFormula:
C27H47O12N5S2Smiles:
NC[C@@H]1O[C@H](OC[C@@H]2O[C@H](SCCCCCCSC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
CSCCCCCCSC1OC(CO)C(O)C(O)C1N.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.85 |
| AlogP: | -4.29 | Num_rotatable_bonds: | 15 |
| MolWt: | 697.83 | Num_heavy_atoms: | 46 |
| TPSA: | 291.22 | NumAromaticRings: | 1 |
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 |
AD00565
Formula: C13H27O4NS2
Smiles:
CSCCCCCCSC1OC(CO)C(O)C(O)C1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 325.5 | Num_heavy_atoms: | 20 |
| TPSA: | 95.94 | NumAromaticRings: | 0 |
