Glycoside
GD123726
Name:
Aristolactam I N-Beta-GlucosideFormula:
C23H21O9NSmiles:
COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1C1OC(CO)C(O)C(O)C1OAglycone:
COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 455.42 | Num_heavy_atoms: | 33 |
| TPSA: | 138.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD18044
Formula: C17H11O4N
Smiles:
COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 293.28 | Num_heavy_atoms: | 22 |
| TPSA: | 56.79 | NumAromaticRings: | 3 |
