Glycoside
...
GD148001

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

Formula:
C54H92O22

Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC12C

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

Sugarmoiety:
CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 14 FractionCSP3: 0.96
AlogP: -1.17 Num_rotatable_bonds: 15
MolWt: 1093.31 Num_heavy_atoms: 76
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD00161
Formula: C30H52O3

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 6.5 Num_rotatable_bonds: 4
MolWt: 460.74 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD09508

CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O