Glycoside
GD110792
Name:
SimeonFormula:
C30H42O8Smiles:
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@H]4[C@@H](CC[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.66 | Num_heavy_atoms: | 38 |
| TPSA: | 129.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD00497
Formula: C24H32O4
Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.52 | Num_heavy_atoms: | 28 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
