Glycoside
...
GD131800

Name:
2-{[2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Formula:
C59H98O27

Smiles:
CC(C)=CCCC(C)(OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(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)C3=CCC12C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CCC12C

Sugarmoiety:
OC1COC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)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: 27 RingCount: 9
HBD: 17 FractionCSP3: 0.93
AlogP: -3.82 Num_rotatable_bonds: 18
MolWt: 1239.41 Num_heavy_atoms: 86
TPSA: 436.21 NumAromaticRings: 0

Unique Aglycone
AD45389
Formula: C30H50O3

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.87
AlogP: 6.42 Num_rotatable_bonds: 4
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD06908

OC1COC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O