Glycoside
GD134384
Name:
rhabdoplanin cFormula:
C42H53O7N5Smiles:
CC(O)=NC1C(C)OC(Oc2ccc(C=CN=C(O)C(Cc3cn(C)c4ccccc34)NC(CC(C)C)C(O)=NCCc3ccccc3)cc2)C(O)C1OAglycone:
CC(C)CC(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: | 0.4 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 16 |
| MolWt: | 739.91 | Num_heavy_atoms: | 54 |
| TPSA: | 173.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD54369
Formula: C34H40O3N4
Smiles:
CC(C)CC(NC(Cc1cn(C)c2ccccc12)C(O)=NC=Cc1ccc(O)cc1)C(O)=NCCc1ccccc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 552.72 | Num_heavy_atoms: | 41 |
| TPSA: | 102.37 | NumAromaticRings: | 4 |
