Glycoside
...
GD153747

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

Formula:
C54H92O24

Smiles:
CC(C)=CCCC(C)(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C

Aglycone:
CC(C)=CCCC(C)(O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 16 FractionCSP3: 0.96
AlogP: -3.09 Num_rotatable_bonds: 15
MolWt: 1125.31 Num_heavy_atoms: 78
TPSA: 397.52 NumAromaticRings: 0

Unique Aglycone
AD47838
Formula: C30H52O5

Smiles:
CC(C)=CCCC(C)(O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 4.59 Num_rotatable_bonds: 4
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD08230

CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O