Glycoside
...
GD130914

Name:
2-[(4,5-dihydroxy-6-{[8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C47H78O18

Smiles:
COC1C=C2C3CCCCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)CCC3(C)C12

Aglycone:
COC1C=C2C3CCCCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12

Sugarmoiety:
CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.96
AlogP: -0.4 Num_rotatable_bonds: 10
MolWt: 931.12 Num_heavy_atoms: 65
TPSA: 287.14 NumAromaticRings: 0

Unique Aglycone
AD53056
Formula: C29H48O4

Smiles:
COC1C=C2C3CCCCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 5.1 Num_rotatable_bonds: 2
MolWt: 460.7 Num_heavy_atoms: 33
TPSA: 69.92 NumAromaticRings: 0

Sugarmoiety
SD00755

CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O