Glycoside
...
GD139271

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

Formula:
C47H82O18

Smiles:
CC(C)(O)CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C

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

Sugarmoiety:
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 12 FractionCSP3: 1.0
AlogP: -0.19 Num_rotatable_bonds: 13
MolWt: 935.16 Num_heavy_atoms: 65
TPSA: 298.14 NumAromaticRings: 0

Unique Aglycone
AD56161
Formula: C30H54O4

Smiles:
CC(C)(O)CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 1.0
AlogP: 5.7 Num_rotatable_bonds: 5
MolWt: 478.76 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD01118

OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O