Glycoside

GD019786
Name:
NoneFormula:
C38H60O11Smiles:
CC(=O)O[C@@H]1C[C@]23COC[C@@](C)([C@H]2CC[C@@H]2C3=CC[C@]3(C)[C@H](C(=O)O)[C@](C)([C@H](C)C(C)C)CC[C@]23C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)OC1CC23COCC(C)(C1O)C2CCC1C3=CCC2(C)C(C(=O)O)C(C)(C(C)C(C)C)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.89 |
AlogP: | 3.69 | Num_rotatable_bonds: | 7 |
MolWt: | 692.89 | Num_heavy_atoms: | 49 |
TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD13768
Formula: C32H50O6
Smiles:
CC(=O)OC1CC23COCC(C)(C1O)C2CCC1C3=CCC2(C)C(C(=O)O)C(C)(C(C)C(C)C)CCC12CHBA: | 6 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.88 |
AlogP: | 5.87 | Num_rotatable_bonds: | 4 |
MolWt: | 530.75 | Num_heavy_atoms: | 38 |
TPSA: | 93.06 | NumAromaticRings: | 0 |