Glycoside
GD029141
Name:
NoneFormula:
C42H66O14Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C=CC3=C5CC(C)(C)CC[C@@]5(CO)C(=O)[C@H](O)[C@]34C)[C@@]2(C)CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
CC1(C)CCC2(CO)C(=O)C(O)C3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13CSugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD18993
Formula: C30H46O5
Smiles:
CC1(C)CCC2(CO)C(=O)C(O)C3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
