Glycoside
...
GD115005

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7,8,9,16-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,16-tetramethylhexacyclo[12.8.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricos-12-ene-20-carboxylate

Formula:
C36H56O13

Smiles:
CC1(O)C(CO)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC34CC3(C=CC3C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC34C)C21

Aglycone:
CC1(O)C(CO)CCC2(C(=O)O)CCC34CC3(C=CC3C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC34C)C21

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

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 10 FractionCSP3: 0.92
AlogP: -1.04 Num_rotatable_bonds: 5
MolWt: 696.83 Num_heavy_atoms: 49
TPSA: 237.83 NumAromaticRings: 0

Unique Aglycone
AD45410
Formula: C30H46O8

Smiles:
CC1(O)C(CO)CCC2(C(=O)O)CCC34CC3(C=CC3C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC34C)C21
HBA: 8 RingCount: 6
HBD: 7 FractionCSP3: 0.9
AlogP: 1.7 Num_rotatable_bonds: 3
MolWt: 534.69 Num_heavy_atoms: 38
TPSA: 158.68 NumAromaticRings: 0

Sugarmoiety
SD00003

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