Glycoside
...
GD140894

Name:
2-[({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)methoxy]oxan-2-yl}oxy)methyl]-6-({[2-(11-hydroxy-3a,3b,6,6,9a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:
C54H92O21

Smiles:
CC(C)=CCCC(C)(OCC1OC(COC2OCC(O)C(OCC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
OC1COC(COC2C(O)COC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 13 FractionCSP3: 0.96
AlogP: -0.84 Num_rotatable_bonds: 16
MolWt: 1077.31 Num_heavy_atoms: 75
TPSA: 336.83 NumAromaticRings: 0

Unique Aglycone
AD46556
Formula: C31H54O3

Smiles:
COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.94
AlogP: 7.15 Num_rotatable_bonds: 5
MolWt: 474.77 Num_heavy_atoms: 34
TPSA: 49.69 NumAromaticRings: 0

Sugarmoiety
SD08632

OC1COC(COC2C(O)COC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O