Glycoside

GD148810
Name:
3,4,5-trihydroxy-6-[(2-hydroxy-6-{4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-octahydro-1H-inden-1-yl}-2-methyl-3-oxoheptan-4-yl)oxy]oxane-2-carboxylic acidFormula:
C33H50O10Smiles:
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CC(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)C(C)(C)OAglycone:
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CC(O)C(=O)C(C)(C)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.76 |
AlogP: | 2.8 | Num_rotatable_bonds: | 9 |
MolWt: | 606.75 | Num_heavy_atoms: | 43 |
TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD59528
Formula: C27H42O4
Smiles:
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CC(O)C(=O)C(C)(C)OHBA: | 4 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.74 |
AlogP: | 4.88 | Num_rotatable_bonds: | 6 |
MolWt: | 430.63 | Num_heavy_atoms: | 31 |
TPSA: | 77.76 | NumAromaticRings: | 0 |