Glycoside

GD008620
Name:
Hypoglaucin GFormula:
C51H82O23Smiles:
CC(=O)[C@@H]1[C@H](OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CC[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 23 | RingCount: | 8 |
HBD: | 12 | FractionCSP3: | 0.92 |
AlogP: | -2.2 | Num_rotatable_bonds: | 16 |
MolWt: | 1063.19 | Num_heavy_atoms: | 74 |
TPSA: | 359.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD06861
Formula: C27H42O5
Smiles:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CHBA: | 5 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.85 |
AlogP: | 4.45 | Num_rotatable_bonds: | 6 |
MolWt: | 446.63 | Num_heavy_atoms: | 32 |
TPSA: | 83.83 | NumAromaticRings: | 0 |