Glycoside
GD030851
Name:
2-({2-[4,7-dihydroxy-3b-(hydroxymethyl)-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-7-hydroxy-6-methylhept-5-en-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O10Smiles:
CC(=CCC[C@@](C)(OC1OC(CO)C(O)C(O)C1O)[C@@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3C[C@H](O)[C@]12CO)COAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CO)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: | 9 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD19949
Formula: C30H52O5
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CO)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
