Glycoside
GD000205
Name:
NoneFormula:
C28H38O9N2Smiles:
O=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N[C@@H]1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5Aglycone:
CC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.62 | Num_heavy_atoms: | 39 |
| TPSA: | 172.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD00240
Formula: C22H28O4N2
Smiles:
CC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 384.48 | Num_heavy_atoms: | 28 |
| TPSA: | 82.03 | NumAromaticRings: | 1 |
