Glycoside
...
GD156475

Name:
2-{[4,5-dihydroxy-2-({2-hydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,6,6,9a,9b,11a-hexamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:
C48H82O18

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(C(OC5OC(CO)C(O)C(O)C5O)CC5C6(C)CC(O)C(C7(C)CCC(C(C)(C)O)O7)C6(C)CCC54C)C3(C)C)OCC(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC5(C)C4(C)CCC23C)O1

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 1.0
AlogP: 0.21 Num_rotatable_bonds: 9
MolWt: 947.17 Num_heavy_atoms: 66
TPSA: 287.14 NumAromaticRings: 0

Unique Aglycone
AD45645
Formula: C31H54O5

Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC5(C)C4(C)CCC23C)O1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 5.07 Num_rotatable_bonds: 2
MolWt: 506.77 Num_heavy_atoms: 36
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD00213

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O