Glycoside
...
GD144061

Name:
13-(chloromethyl)-3-hydroxy-4,6a,11,11,14b-pentamethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid

Formula:
C37H55O11Cl

Smiles:
CC1(C)CCC2(C(=O)O)CCC3=C(C(CCl)CC4C3(C)CCC3C4(C)CC(OC4OC(CO)C(O)C(O)C4O)C(O)C3(C)C(=O)O)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3=C(C(CCl)CC4C3(C)CCC3C4(C)CC(O)C(O)C3(C)C(=O)O)C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 7 FractionCSP3: 0.89
AlogP: 3.31 Num_rotatable_bonds: 6
MolWt: 699.28 Num_heavy_atoms: 48
TPSA: 194.21 NumAromaticRings: 0

Unique Aglycone
AD51095
Formula: C31H45O6Cl

Smiles:
CC1(C)CCC2(C(=O)O)CCC3=C(C(CCl)CC4C3(C)CCC3C4(C)CC(O)C(O)C3(C)C(=O)O)C2C1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 5.49 Num_rotatable_bonds: 3
MolWt: 537.14 Num_heavy_atoms: 37
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O