Glycoside
GD023507
Name:
NoneFormula:
C49H76O13N2Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OCC=Cc2cnc3ccccc3c2)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=Cc2cnc3ccccc3c2)CC(C)C(=O)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 901.15 | Num_heavy_atoms: | 64 |
| TPSA: | 195.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD15799
Formula: C41H62O10N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=Cc2cnc3ccccc3c2)CC(C)C(=O)C(C)C(O)C1(C)O| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 742.95 | Num_heavy_atoms: | 53 |
| TPSA: | 168.11 | NumAromaticRings: | 2 |
