Glycoside
...
GD116966

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

Formula:
C66H112O31

Smiles:
CC(C)=CCCC(C)(OCC1OC(COC2OC(CO)C(O)C(OCC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OCC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 10
HBD: 19 FractionCSP3: 0.97
AlogP: -5.19 Num_rotatable_bonds: 22
MolWt: 1401.59 Num_heavy_atoms: 97
TPSA: 495.13 NumAromaticRings: 0

Unique Aglycone
AD46556
Formula: C31H54O3

Smiles:
COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.94
AlogP: 7.15 Num_rotatable_bonds: 5
MolWt: 474.77 Num_heavy_atoms: 34
TPSA: 49.69 NumAromaticRings: 0

Sugarmoiety
SD04962

OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OCC2OCC(O)C(O)C2O)C1O