Glycoside
...
GD150055

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

Formula:
C54H94O23

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(O)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)O)CCC45C)C3(C)C)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

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

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 15 FractionCSP3: 1.0
AlogP: -1.98 Num_rotatable_bonds: 15
MolWt: 1111.32 Num_heavy_atoms: 77
TPSA: 377.29 NumAromaticRings: 0

Unique Aglycone
AD50405
Formula: C30H54O5

Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 1.0
AlogP: 4.67 Num_rotatable_bonds: 5
MolWt: 494.76 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD02384

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O