Glycoside
GD005051
Name:
NoneFormula:
C43H71O15NSmiles:
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](CC=C2OCCCO2)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(CC=C2OCCCO2)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: | 4 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 842.03 | Num_heavy_atoms: | 59 |
| TPSA: | 201.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD04327
Formula: C27H42O8
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=C2OCCCO2)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 494.63 | Num_heavy_atoms: | 35 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
