Glycoside

GD024250
Name:
NoneFormula:
C28H38O11Smiles:
C[C@H](C=C[C@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(O)C=CC1(O)C(C)CC(=O)CC1(C)C.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.57 |
AlogP: | 1.18 | Num_rotatable_bonds: | 8 |
MolWt: | 550.6 | Num_heavy_atoms: | 39 |
TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.1 |
AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
MolWt: | 194.19 | Num_heavy_atoms: | 14 |
TPSA: | 66.76 | NumAromaticRings: | 1 |
AD08802
Formula: C13H22O3
Smiles:
CC(O)C=CC1(O)C(C)CC(=O)CC1(C)CHBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.77 |
AlogP: | 1.68 | Num_rotatable_bonds: | 2 |
MolWt: | 226.32 | Num_heavy_atoms: | 16 |
TPSA: | 57.53 | NumAromaticRings: | 0 |