Glycoside
GD006773
Name:
NoneFormula:
C41H57O11N5Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(CC=C(C)C)c(O)c(CN5CCN(CCCN(C)C)CC5)c4)c(=O)oc3c2C)OC1(C)CAglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN2CCN(CCCN(C)C)CC2)c1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 14 |
| MolWt: | 795.93 | Num_heavy_atoms: | 57 |
| TPSA: | 209.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD05571
Formula: C32H42O6N4
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN2CCN(CCCN(C)C)CC2)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.71 | Num_heavy_atoms: | 42 |
| TPSA: | 129.72 | NumAromaticRings: | 3 |
