Glycoside
...
GD115322

Name:
methyl 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[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,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C37H60O9

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(CO)C4CCC3(C)C1(C)CC2

Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2

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

Other Identifiers

Properties
HBA: 9 RingCount: 6
HBD: 5 FractionCSP3: 0.92
AlogP: 4.12 Num_rotatable_bonds: 5
MolWt: 648.88 Num_heavy_atoms: 46
TPSA: 145.91 NumAromaticRings: 0

Unique Aglycone
AD03112
Formula: C31H50O4

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.29 Num_rotatable_bonds: 2
MolWt: 486.74 Num_heavy_atoms: 35
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00003

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