Glycoside
...
GD145842

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

Formula:
C53H90O21

Smiles:
CC(C)=CCCC(C)(OCC1OC(COC2OCC(OC3OCC(O)C(O)C3O)C(O)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(OC2COC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 13 FractionCSP3: 0.96
AlogP: -0.88 Num_rotatable_bonds: 15
MolWt: 1063.28 Num_heavy_atoms: 74
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
SD05804

OC1COC(OC2COC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O