Glycoside
GD035247
Name:
NoneFormula:
C45H70O17Smiles:
Cc1c(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)oc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@]43C)[C@H]1C2Aglycone:
Cc1c(CCC(C)CO)oc2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.87 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 883.04 | Num_heavy_atoms: | 62 |
| TPSA: | 270.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD22314
Formula: C27H40O3
Smiles:
Cc1c(CCC(C)CO)oc2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.61 | Num_heavy_atoms: | 30 |
| TPSA: | 53.6 | NumAromaticRings: | 1 |
