Glycoside
...
GD156256

Name:
5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-2,3,4-trihydroxycyclohexyl 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4-carboxylate

Formula:
C50H82O18

Smiles:
CC1CC(C(=O)OC2CC(COC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C2CC(C)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C

Aglycone:
CC1CC(C(=O)OC2CC(CO)C(O)C(O)C2O)C2CC(C)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 12 FractionCSP3: 0.94
AlogP: -0.27 Num_rotatable_bonds: 9
MolWt: 971.19 Num_heavy_atoms: 68
TPSA: 305.98 NumAromaticRings: 0

Unique Aglycone
AD61890
Formula: C38H62O9

Smiles:
CC1CC(C(=O)OC2CC(CO)C(O)C(O)C2O)C2CC(C)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C
HBA: 9 RingCount: 6
HBD: 7 FractionCSP3: 0.92
AlogP: 3.06 Num_rotatable_bonds: 4
MolWt: 662.91 Num_heavy_atoms: 47
TPSA: 167.91 NumAromaticRings: 0

Sugarmoiety
SD01124

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O