Glycoside
GD011096
Name:
2-hydroxymethyl-delta3, 4-glucopiericidin aFormula:
C32H49O10NSmiles:
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=CC=C(C)C(Cc1nc(OC)c(OC)c(O)c1C)OCAglycone:
CC=C(C)C(O)C(C)C=C(C)C=CC=C(C)C(Cc1nc(OC)c(OC)c(O)c1C)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 14 |
| MolWt: | 607.74 | Num_heavy_atoms: | 43 |
| TPSA: | 160.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD08505
Formula: C26H39O5N
Smiles:
CC=C(C)C(O)C(C)C=C(C)C=CC=C(C)C(Cc1nc(OC)c(OC)c(O)c1C)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 445.6 | Num_heavy_atoms: | 32 |
| TPSA: | 81.04 | NumAromaticRings: | 1 |
