Glycoside
GD130428
Name:
rhabdoplanin bFormula:
C41H51O7N5Smiles:
CC(O)=NC1C(C)OC(Oc2ccc(C=CN=C(O)C(Cc3cn(C)c4ccccc34)NC(C(O)=NCCc3ccccc3)C(C)C)cc2)C(O)C1OAglycone:
CC(C)C(NC(Cc1cn(C)c2ccccc12)C(O)=NC=Cc1ccc(O)cc1)C(O)=NCCc1ccccc1Sugarmoiety:
CC(O)=NC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 15 |
| MolWt: | 725.89 | Num_heavy_atoms: | 53 |
| TPSA: | 173.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD52857
Formula: C33H38O3N4
Smiles:
CC(C)C(NC(Cc1cn(C)c2ccccc12)C(O)=NC=Cc1ccc(O)cc1)C(O)=NCCc1ccccc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 12 |
| MolWt: | 538.69 | Num_heavy_atoms: | 40 |
| TPSA: | 102.37 | NumAromaticRings: | 4 |
