Glycoside
...
GD147216

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

Formula:
C52H88O22

Smiles:
CC(C)=CCCC(OC1OC(COC2OCC(O)C(O)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)C4O)C(C)(C)C3CCC12C

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

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 14 FractionCSP3: 0.96
AlogP: -1.95 Num_rotatable_bonds: 15
MolWt: 1065.25 Num_heavy_atoms: 74
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD56153
Formula: C29H50O3

Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 4
MolWt: 446.72 Num_heavy_atoms: 32
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00272

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O