Glycoside
GD140864
Name:
NoneFormula:
C38H41O18NSmiles:
CC1(c2cc(Cc3c(OC4OC(C(=O)OC5OC(C(=O)O)C(O)C(O)C5O)C(O)C(O)C4O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)c[nH]2)CCCC1Aglycone:
CC1(c2cc(Cc3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)c[nH]2)CCCC1Sugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.45 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 799.73 | Num_heavy_atoms: | 57 |
| TPSA: | 319.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD56788
Formula: C26H25O6N
Smiles:
CC1(c2cc(Cc3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)c[nH]2)CCCC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.49 | Num_heavy_atoms: | 33 |
| TPSA: | 126.92 | NumAromaticRings: | 4 |
