Glycoside
...
GD152983

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

Formula:
C53H90O21

Smiles:
COC(C)(C)C=CCC(O)(COC1OCC(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
COC(C)(C)C=CCC(O)(CO)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.96
AlogP: -0.27 Num_rotatable_bonds: 15
MolWt: 1063.28 Num_heavy_atoms: 74
TPSA: 325.83 NumAromaticRings: 0

Unique Aglycone
AD60871
Formula: C31H54O4

Smiles:
COC(C)(C)C=CCC(O)(CO)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.94
AlogP: 6.13 Num_rotatable_bonds: 6
MolWt: 490.77 Num_heavy_atoms: 35
TPSA: 69.92 NumAromaticRings: 0

Sugarmoiety
SD10071

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O