Glycoside
GD002130
Name:
NoneFormula:
C41H70O14Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5C[C@H](O)[C@]5(C)[C@H](C(CO)CCO)CC[C@@]65O)C4)C[C@H]3O)C[C@H]2O)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C(CO)CCO)CCC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 787.0 | Num_heavy_atoms: | 55 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD02063
Formula: C23H40O5
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C(CO)CCO)CCC12O| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.57 | Num_heavy_atoms: | 28 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
