Glycoside
GD006397
Name:
Resorcinoside BFormula:
C37H54O11Smiles:
CC[C@H](C)[C@H](CCCCCCCC=CC=CCCc1cc(O)cc(O)c1Cc1c(O)cc(C)oc1=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC(C)C(O)CCCCCCCC=CC=CCCc1cc(O)cc(O)c1Cc1c(O)cc(C)oc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 19 |
| MolWt: | 674.83 | Num_heavy_atoms: | 48 |
| TPSA: | 190.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD05302
Formula: C31H44O6
Smiles:
CCC(C)C(O)CCCCCCCC=CC=CCCc1cc(O)cc(O)c1Cc1c(O)cc(C)oc1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 6.84 | Num_rotatable_bonds: | 16 |
| MolWt: | 512.69 | Num_heavy_atoms: | 37 |
| TPSA: | 111.13 | NumAromaticRings: | 2 |
