Glycoside
GD121734
Name:
NoneFormula:
C37H41O16Smiles:
Cc1cc(C2Oc3cc(O)cc(OC4OC(C)CC(O)C4O)c3C=C2OC2OC(COC(=O)C=Cc3ccc([OH2+])cc3)C(O)C(O)C2O)cc(O)c1OAglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.Cc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1OSugarmoiety:
CC1CC(O)C(O)C(O)O1.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 741.72 | Num_heavy_atoms: | 53 |
| TPSA: | 257.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD45655
Formula: C10H11O3
Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.19 | Num_heavy_atoms: | 13 |
| TPSA: | 49.2 | NumAromaticRings: | 1 |
AD47010
Formula: C16H14O6
Smiles:
Cc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
