Glycoside
GD155661
Name:
2-({2-[4,7-dihydroxy-3b-(hydroxymethyl)-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O15Smiles:
CC(=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CO)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 12 |
| MolWt: | 817.02 | Num_heavy_atoms: | 57 |
| TPSA: | 259.45 | 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 |
