Glycoside
...
GD152643

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 27,28,29,32,33,34-hexahydroxy-21,21-bis(hydroxymethyl)-3,10,10,16,17-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.16.0.0³,²⁰.0⁴,¹⁷.0⁷,¹⁶.0⁸,¹³.0²⁵,³⁰.0³¹,³⁶]octatriaconta-6,25(30),26,28,31,33,35-heptaene-13-carboxylate

Formula:
C50H64O19

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6C(CO)(CO)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6C(CO)(CO)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 12 FractionCSP3: 0.66
AlogP: 3.35 Num_rotatable_bonds: 5
MolWt: 969.04 Num_heavy_atoms: 69
TPSA: 330.89 NumAromaticRings: 2

Unique Aglycone
AD60763
Formula: C44H54O14

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6C(CO)(CO)C5CCC43C)C2C1
HBA: 14 RingCount: 8
HBD: 9 FractionCSP3: 0.61
AlogP: 6.09 Num_rotatable_bonds: 3
MolWt: 806.9 Num_heavy_atoms: 58
TPSA: 251.74 NumAromaticRings: 2

Sugarmoiety
SD00003

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