Glycoside
GD005425
Name:
2-{[3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-9-yl]oxy}oxane-3,4,5-triolFormula:
C35H54O7Smiles:
C=C(C)[C@@H]1O[C@@]23C[C@]4(C)[C@@H]5CC[C@@H]6C(C)(C)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)CC[C@]67C[C@@]57CC[C@@]4(C)[C@H]2[C@H](C)C[C@H]1O3Aglycone:
C=C(C)C1OC23CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C2C(C)CC1O3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 586.81 | Num_heavy_atoms: | 42 |
| TPSA: | 97.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD04612
Formula: C30H46O3
Smiles:
C=C(C)C1OC23CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C2C(C)CC1O3| HBA: | 3 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 6.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
