Glycoside
GD108094
Name:
NoneFormula:
C35H39O16NSmiles:
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)c(OC)c1Aglycone:
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O)c2)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 729.69 | Num_heavy_atoms: | 52 |
| TPSA: | 257.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD44400
Formula: C29H29O11N
Smiles:
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O)c2)c(OC)c1| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 567.55 | Num_heavy_atoms: | 41 |
| TPSA: | 177.92 | NumAromaticRings: | 3 |
