Glycoside
...
GD136543

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

Formula:
C47H80O19

Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2C1C(O)CC1C2(C)CC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C2C(C)(C)C(O)CCC21C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2C1C(O)CC1C2(C)CC(O)C2C(C)(C)C(O)CCC21C

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

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 0.96
AlogP: -1.45 Num_rotatable_bonds: 13
MolWt: 949.14 Num_heavy_atoms: 66
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD55200
Formula: C29H50O4

Smiles:
CC(C)=CCCC(C)(O)C1CCC2C1C(O)CC1C2(C)CC(O)C2C(C)(C)C(O)CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.08 Num_rotatable_bonds: 4
MolWt: 462.72 Num_heavy_atoms: 33
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00069

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