Glycoside
...
GD118056

Name:
1,3a,3b-trihydroxy-7-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl 3-methylbutanoate

Formula:
C53H90O22

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)CC(C)C)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:
CC(C)CC(=O)OC1CC2C3(C)CCC(O)CC3CCC2(O)C2(O)CCC(O)(C(C)O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 9 FractionCSP3: 0.98
AlogP: 0.7 Num_rotatable_bonds: 16
MolWt: 1079.28 Num_heavy_atoms: 75
TPSA: 309.9 NumAromaticRings: 0

Unique Aglycone
AD47154
Formula: C26H44O7

Smiles:
CC(C)CC(=O)OC1CC2C3(C)CCC(O)CC3CCC2(O)C2(O)CCC(O)(C(C)O)C12C
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.96
AlogP: 2.3 Num_rotatable_bonds: 4
MolWt: 468.63 Num_heavy_atoms: 33
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD02085

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1