Glycoside
GD019807
Name:
QUANOLIRONE IFormula:
C37H42O13Smiles:
Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc([C@@H]2C[C@H](O[C@@H]4CC[C@H](O[C@@H]5C[C@H](O)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](O)[C@H](C)O2)c(O)c1C3=OAglycone:
Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc(C2CC(OC4CCC(O)C(C)O4)C(O)C(C)O2)c(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.51 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 694.73 | Num_heavy_atoms: | 50 |
| TPSA: | 201.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD13778
Formula: C31H32O10
Smiles:
Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc(C2CC(OC4CCC(O)C(C)O4)C(O)C(C)O2)c(O)c1C3=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 564.59 | Num_heavy_atoms: | 41 |
| TPSA: | 162.98 | NumAromaticRings: | 3 |
