Glycoside
GD029191
Name:
NoneFormula:
C21H27O9N5SSmiles:
CC(C)(SCc1ccc(O)cn1)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CC(C)(SCc1ccc(O)cn1)C(N)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.54 | Num_heavy_atoms: | 36 |
| TPSA: | 230.09 | NumAromaticRings: | 2 |
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 |
AD19019
Formula: C13H19O4N3S
Smiles:
CC(C)(SCc1ccc(O)cn1)C(N)C(=O)NCC(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 313.38 | Num_heavy_atoms: | 21 |
| TPSA: | 125.54 | NumAromaticRings: | 1 |
