Glycoside
GD007895
Name:
NoneFormula:
C49H82O12N4Smiles:
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)(O)C[C@H](C)CN(CCCNc2ccnc3ccccc23)[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)(O)CC(C)CN(CCCNc2ccnc3ccccc23)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 12 |
| MolWt: | 919.21 | Num_heavy_atoms: | 65 |
| TPSA: | 205.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD06377
Formula: C41H68O9N4
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNc2ccnc3ccccc23)C(C)C(O)C1(C)O| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 761.01 | Num_heavy_atoms: | 54 |
| TPSA: | 177.31 | NumAromaticRings: | 2 |
