Glycoside
GD137573
Name:
Pluraflavin BFormula:
C43H56O15N2Smiles:
CC1OC(OC2C(C)OC(c3ccc4c(c3O)C(=O)c3c(cc(COC5CC(C)(N)C(O)C(C)O5)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(COC4CC(C)(N)C(O)C(C)O4)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: | 17 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 840.92 | Num_heavy_atoms: | 60 |
| TPSA: | 261.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD55571
Formula: C37H46O12N2
Smiles:
CC1OC(c2ccc3c(c2O)C(=O)c2c(cc(COC4CC(C)(N)C(O)C(C)O4)c4c(=O)cc(C(C)(O)C(C)O)oc24)C3=O)CC(N(C)C)C1O| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 710.78 | Num_heavy_atoms: | 51 |
| TPSA: | 222.45 | NumAromaticRings: | 3 |
