Glycoside
GD130469
Name:
6-{[1-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-methylheptan-2-yl)-3,5-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-5-methoxyoxane-3,4-diolFormula:
C38H66O12Smiles:
COC1C(OC2CCC3(C)C(C2)C(O)CC2C3CCC3(C)C(C(C)CCC(OC4OC(CO)C(O)C4O)C(C)C)CC(O)C23)OCC(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1C(O)OCC(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 714.93 | Num_heavy_atoms: | 50 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD13821
Formula: C27H48O4
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.68 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
