Glycoside
GD085612
Name:
NoneFormula:
C21H27O7NSmiles:
O=c1cc(OC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(Oc1cc[nH]c(=O)c1)C12CC3CC(CC(C3)C1)C2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 405.45 | Num_heavy_atoms: | 29 |
| TPSA: | 118.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD38165
Formula: C16H19O3N
Smiles:
O=C(Oc1cc[nH]c(=O)c1)C12CC3CC(CC(C3)C1)C2| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.33 | Num_heavy_atoms: | 20 |
| TPSA: | 59.16 | NumAromaticRings: | 1 |
