Glycoside
GD035880
Name:
NoneFormula:
C54H87O15N3Smiles:
CCCCNC(=O)C(C[C@@H]1C[C@H](C)C(=O)C=CC(C)=C[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2OC)[C@H](CC)OC(=O)C[C@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]1O)N(C(=O)c1ccccc1)C(C)CAglycone:
CCCCNC(=O)C(CC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)N(C(=O)c1ccccc1)C(C)CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 18 |
| MolWt: | 1018.3 | Num_heavy_atoms: | 72 |
| TPSA: | 232.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD22671
Formula: C38H58O8N2
Smiles:
CCCCNC(=O)C(CC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)N(C(=O)c1ccccc1)C(C)C| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 670.89 | Num_heavy_atoms: | 48 |
| TPSA: | 153.47 | NumAromaticRings: | 1 |
