Glycoside
...
GD130092

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

Formula:
C48H82O20

Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3C(O)CC12C

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

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 14 FractionCSP3: 0.96
AlogP: -1.94 Num_rotatable_bonds: 13
MolWt: 979.16 Num_heavy_atoms: 68
TPSA: 338.6 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
SD00518

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O