Glycoside
GD028007
Name:
NoneFormula:
C53H82O15N2Smiles:
CCCO[C@H]1[C@@H](N(C)C)[C@@H](OCCC)[C@H](C)O[C@H]1O[C@H]1[C@H](CCN2C(=O)c3ccccc3C2=O)C[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]1CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2C(=O)c3ccccc3C2=O)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CCCOC1C(C)OC(O)C(OCCC)C1N(C)C.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 18 |
| MolWt: | 987.24 | Num_heavy_atoms: | 70 |
| TPSA: | 198.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD01381
Formula: C31H41O8N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2C(=O)c3ccccc3C2=O)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 555.67 | Num_heavy_atoms: | 40 |
| TPSA: | 141.44 | NumAromaticRings: | 1 |
