Glycoside
GD008395
Name:
NoneFormula:
C28H33O20N4PS3Smiles:
Nc1c(S(=O)(=O)[O-])cc2c3c(cc(S(=O)(=O)[O-])cc13)C(=O)N(CCNC(=O)CSC[C@@H]1O[C@H](O[C@@H]3[C@@H]4OP(=O)(O)O[C@H]4[C@H](O)[C@H](O)[C@H]3O)[C@H](N)[C@H](O)[C@H]1O)C2=OAglycone:
CSCC(=O)NCCN1C(=O)c2cc(S(=O)(=O)[O-])cc3c(N)c(S(=O)(=O)[O-])cc(c23)C1=O.O=P1(O)OC2C(O)C(O)C(O)C(O)C2O1Sugarmoiety:
NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.54 |
| AlogP: | -5.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 872.76 | Num_heavy_atoms: | 56 |
| TPSA: | 408.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD06705
Formula: C17H15O9N3S3
Smiles:
CSCC(=O)NCCN1C(=O)c2cc(S(=O)(=O)[O-])cc3c(N)c(S(=O)(=O)[O-])cc(c23)C1=O| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 501.52 | Num_heavy_atoms: | 32 |
| TPSA: | 206.9 | NumAromaticRings: | 2 |
AD06706
Formula: C6H11O8P
Smiles:
O=P1(O)OC2C(O)C(O)C(O)C(O)C2O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 242.12 | Num_heavy_atoms: | 15 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
