Glycoside
...
GD122627

Name:
8a-[({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)carbonyl]-6b-(hydroxymethyl)-4,6a,11,11,12a,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

Formula:
C48H76O19

Smiles:
CC1OC(OC(=O)C23CCC(C)(C)CC2(C)C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(CO)CC3)C(O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2(C)C1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: 0.23 Num_rotatable_bonds: 9
MolWt: 957.12 Num_heavy_atoms: 67
TPSA: 312.05 NumAromaticRings: 0

Unique Aglycone
AD49433
Formula: C31H48O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2(C)C1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 5.66 Num_rotatable_bonds: 3
MolWt: 516.72 Num_heavy_atoms: 37
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD04770

CC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O