Glycoside
GD141797
Name:
2-[(6-hydroxy-6-methyl-2-{7,8,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-4-en-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C41H70O14Smiles:
CC(C)(O)C=CCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C3CCC4C(C)(C)C(O)C(O)CC4(C)C3CC(O)C12CAglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)C(O)CC4(C)C3CC(O)C12CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 787.0 | Num_heavy_atoms: | 55 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD57094
Formula: C30H52O5
Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)C(O)CC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
