Glycoside
GD005713
Name:
NoneFormula:
C27H38O8N4Smiles:
NC[C@@H]1O[C@H](O[C@H](CN2CCC(Cc3ccccc3)CC2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=c1ccn(C2OC(C(O)CN3CCC(Cc4ccccc4)CC3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 546.62 | Num_heavy_atoms: | 39 |
| TPSA: | 172.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD04813
Formula: C22H29O5N3
Smiles:
O=c1ccn(C2OC(C(O)CN3CCC(Cc4ccccc4)CC3)CC2O)c(=O)[nH]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.49 | Num_heavy_atoms: | 30 |
| TPSA: | 107.79 | NumAromaticRings: | 2 |
