Glycoside
GD112074
Name:
NoneFormula:
C28H26O5N2SSmiles:
O=c1ccn([C@@H]2O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@@H]2O)c(=S)[nH]1Aglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.O=c1cc[nH]c(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 502.59 | Num_heavy_atoms: | 36 |
| TPSA: | 96.71 | NumAromaticRings: | 4 |
Unique Aglycone
AD00306
Formula: C4H4ON2S
Smiles:
O=c1cc[nH]c(=S)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 48.65 | NumAromaticRings: | 1 |
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
