Glycoside
GD158320
Name:
Pluraflavin EFormula:
C36H41O14NSmiles:
CC1OC(OC2C(C)OC(c3ccc4c(c3O)C(=O)c3c(cc(C(=O)O)c5c(=O)cc(C(C)(O)C(C)O)oc35)C4=O)CC2N(C)C)CC(O)C1OAglycone:
CC1OC(c2ccc3c(c2O)C(=O)c2c(cc(C(=O)O)c4c(=O)cc(C(C)(O)C(C)O)oc24)C3=O)CC(N(C)C)C1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 711.72 | Num_heavy_atoms: | 51 |
| TPSA: | 233.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD62505
Formula: C30H31O11N
Smiles:
CC1OC(c2ccc3c(c2O)C(=O)c2c(cc(C(=O)O)c4c(=O)cc(C(C)(O)C(C)O)oc24)C3=O)CC(N(C)C)C1O| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 581.57 | Num_heavy_atoms: | 42 |
| TPSA: | 195.04 | NumAromaticRings: | 3 |
