Glycoside
GD133971
Name:
NoneFormula:
C38H43O18NSmiles:
CC1(c2cc(Cc3c(OC4OC(C(=O)OC5OC(C(=O)O)C(O)C(O)C5O)C(O)C(O)C4O)cc4c(c3O)C(=O)CC(c3ccc([OH2+])c(O)c3)O4)c[n-]2)CCCC1Aglycone:
CC1(c2cc(Cc3c(O)cc4c(c3O)C(=O)CC(c3ccc([OH2+])c(O)c3)O4)c[n-]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: | 0.5 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 801.75 | Num_heavy_atoms: | 57 |
| TPSA: | 316.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD54200
Formula: C26H27O6N
Smiles:
CC1(c2cc(Cc3c(O)cc4c(c3O)C(=O)CC(c3ccc([OH2+])c(O)c3)O4)c[n-]2)CCCC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 449.5 | Num_heavy_atoms: | 33 |
| TPSA: | 123.99 | NumAromaticRings: | 3 |
