Glycoside
...
GD144068

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

Formula:
C54H92O23

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CC(O)C5(C)C4CCC4C(C(C)(CC=CC(C)(C)O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 15 FractionCSP3: 0.96
AlogP: -2.2 Num_rotatable_bonds: 15
MolWt: 1109.31 Num_heavy_atoms: 77
TPSA: 377.29 NumAromaticRings: 0

Unique Aglycone
AD57913
Formula: C30H52O4

Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.47 Num_rotatable_bonds: 4
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD02919

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O