Glycoside
GD028498
Name:
NoneFormula:
C33H28O11N4SSmiles:
Cc1ccc(S(=O)(=O)NN2C(=O)c3c(c4c5cccc(O)c5n(C5OC(CO)C(O)C(O)C5O)c4c4[nH]c5c(O)cccc5c34)C2=O)cc1Aglycone:
Cc1ccc(S(=O)(=O)NN2C(=O)c3c(c4c5cccc(O)c5[nH]c4c4[nH]c5c(O)cccc5c34)C2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 688.67 | Num_heavy_atoms: | 49 |
| TPSA: | 234.88 | NumAromaticRings: | 6 |
Unique Aglycone
AD18607
Formula: C27H18O6N4S
Smiles:
Cc1ccc(S(=O)(=O)NN2C(=O)c3c(c4c5cccc(O)c5[nH]c4c4[nH]c5c(O)cccc5c34)C2=O)cc1| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.04 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 526.53 | Num_heavy_atoms: | 38 |
| TPSA: | 155.59 | NumAromaticRings: | 6 |
