Glycoside
GD011468
Name:
NoneFormula:
C69H72O24Smiles:
O=C(O)Cc1cccc(-c2cc(Cc3cc(Cc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5cccc(CC(=O)O)c5)c4)cc(Cc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5cccc(CC(=O)O)c5)c4)c3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(Cc3cc(Cc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)cc(Cc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)c3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 15 | FractionCSP3: | 0.35 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 24 |
| MolWt: | 1285.31 | Num_heavy_atoms: | 93 |
| TPSA: | 410.04 | NumAromaticRings: | 7 |
Unique Aglycone
AD08768
Formula: C51H42O9
Smiles:
O=C(O)Cc1cccc(-c2cc(Cc3cc(Cc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)cc(Cc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)c3)ccc2O)c1| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 9.46 | Num_rotatable_bonds: | 15 |
| MolWt: | 798.89 | Num_heavy_atoms: | 60 |
| TPSA: | 172.59 | NumAromaticRings: | 7 |
