Glycoside
...
GD130251

Name:
2-hydroxy-4,6a,6b,11,11,14a,14b-heptamethyl-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-4,8a-dicarboxylic acid

Formula:
C37H58O11

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4(C)C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC34C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4(C)C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC34C)C2C1

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

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 7 FractionCSP3: 0.89
AlogP: 3.48 Num_rotatable_bonds: 5
MolWt: 678.86 Num_heavy_atoms: 48
TPSA: 194.21 NumAromaticRings: 0

Unique Aglycone
AD52783
Formula: C31H48O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4(C)C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC34C)C2C1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 5.66 Num_rotatable_bonds: 2
MolWt: 516.72 Num_heavy_atoms: 37
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD00003

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