Glycoside
GD017546
Name:
NoneFormula:
C41H69O13N5SSmiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCSc2nnnn2C)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCSc2nnnn2C)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 872.09 | Num_heavy_atoms: | 60 |
| TPSA: | 226.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD07994
Formula: C25H40O6N4S
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCSc2nnnn2C)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.68 | Num_heavy_atoms: | 36 |
| TPSA: | 147.66 | NumAromaticRings: | 1 |
