Glycoside
...
GD135415

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

Formula:
C47H80O18

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C6(O)CCC(C(C)(C)O)C6O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)C1CCC(O)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)C1O

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 12 FractionCSP3: 1.0
AlogP: -0.58 Num_rotatable_bonds: 9
MolWt: 933.14 Num_heavy_atoms: 65
TPSA: 298.14 NumAromaticRings: 0

Unique Aglycone
AD54755
Formula: C30H52O5

Smiles:
CC(C)(O)C1CCC(O)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)C1O
HBA: 5 RingCount: 5
HBD: 5 FractionCSP3: 1.0
AlogP: 4.28 Num_rotatable_bonds: 2
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD01594

CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O