Glycoside
GD033840
Name:
5-hydroxy-6-hydroxymethyl glucopiericidin aFormula:
C32H51O11NSmiles:
CC=C(C)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)C=C(C)[C@H](OC)[C@H](O)CC(C)=CCc1nc(OC)c(OC)c(O)c1CAglycone:
CC=C(C)C(O)C(C)C=C(C)C(OC)C(O)CC(C)=CCc1nc(OC)c(OC)c(O)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 15 |
| MolWt: | 625.76 | Num_heavy_atoms: | 44 |
| TPSA: | 180.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD21574
Formula: C26H41O6N
Smiles:
CC=C(C)C(O)C(C)C=C(C)C(OC)C(O)CC(C)=CCc1nc(OC)c(OC)c(O)c1C| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 463.62 | Num_heavy_atoms: | 33 |
| TPSA: | 101.27 | NumAromaticRings: | 1 |
