Glycoside
GD038855
Name:
(2beta,7beta,16s,17r,19e,21beta)-21-(beta-d-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetateFormula:
C27H34O8N2Smiles:
CC=C1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[N@]2[C@@H]3C[C@@]45c6ccccc6N[C@@H]4[C@H]2C[C@@H]1[C@@H]3[C@H]5OC(C)=OAglycone:
CC=C1C2CC3C4Nc5ccccc5C45CC(C2C5OC(C)=O)N3C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.58 | Num_heavy_atoms: | 37 |
| TPSA: | 140.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD24162
Formula: C21H24O3N2
Smiles:
CC=C1C2CC3C4Nc5ccccc5C45CC(C2C5OC(C)=O)N3C1O| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.43 | Num_heavy_atoms: | 26 |
| TPSA: | 61.8 | NumAromaticRings: | 1 |
