Glycoside
GD135985
Name:
Aristolactam C N-Beta-D-GlucosideFormula:
C22H19O9NSmiles:
O=C1c2cc3c(c4c2c(cc2c(O)cccc24)N1C1OC(CO)C(O)C(O)C1O)OCO3Aglycone:
O=C1Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 441.39 | Num_heavy_atoms: | 32 |
| TPSA: | 149.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD19050
Formula: C16H9O4N
Smiles:
O=C1Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 279.25 | Num_heavy_atoms: | 21 |
| TPSA: | 67.79 | NumAromaticRings: | 3 |
