Glycoside
GD001317
Name:
NoneFormula:
C42H67O15NSmiles:
CC[C@@H]1OC(O)=CC(=O)[C@H](C)[C@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@H](CC=CC(=O)OC)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(O)=CC(=O)C(C)C(O)C(CC=CC(=O)OC)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: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 825.99 | Num_heavy_atoms: | 58 |
| TPSA: | 209.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD01350
Formula: C26H38O8
Smiles:
CCC1OC(O)=CC(=O)C(C)C(O)C(CC=CC(=O)OC)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.58 | Num_heavy_atoms: | 34 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
