Glycoside
GD145938
Name:
2-[(7-hydroxy-6-methyl-2-{7,9,11-trihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-5-en-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O10Smiles:
CC(=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)C(O)CC(O)C(C)(C)C3CCC12C)COAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)C(O)CC(O)C(C)(C)C3CCC12C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD58548
Formula: C30H52O5
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)C(O)CC(O)C(C)(C)C3CCC12C)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
