Glycoside
...
GD143831

Name:
1-(6,6-dimethyl-5-methylideneheptan-2-yl)-7-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-6,6,9a,11a-tetramethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-3a-carboxylic acid

Formula:
C50H82O18

Smiles:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3)C(C)(C)C

Aglycone:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)(C)C

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 11 FractionCSP3: 0.9
AlogP: 1.65 Num_rotatable_bonds: 14
MolWt: 971.19 Num_heavy_atoms: 68
TPSA: 294.98 NumAromaticRings: 0

Unique Aglycone
AD06662
Formula: C32H52O3

Smiles:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)(C)C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.84
AlogP: 8.18 Num_rotatable_bonds: 5
MolWt: 484.77 Num_heavy_atoms: 35
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00673

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O