Glycoside
GD033723
Name:
NoneFormula:
C33H29O12NSmiles:
COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn21Aglycone:
COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 631.59 | Num_heavy_atoms: | 46 |
| TPSA: | 181.92 | NumAromaticRings: | 6 |
Unique Aglycone
AD01659
Formula: C28H21O8N
Smiles:
COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 499.48 | Num_heavy_atoms: | 37 |
| TPSA: | 123.0 | NumAromaticRings: | 6 |
