Glycoside
...
GD134121

Name:
2-{[2-({1-ethyl-2-[(3-methoxy-5-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hex-1-en-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C53H88O23

Smiles:
C=C(OC1CC2C3CC=C4CC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1CC)C(CC(C)COC1OC(CO)C(O)C(O)C1O)OC

Aglycone:
C=C(OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1CC)C(CC(C)CO)OC

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 13 FractionCSP3: 0.92
AlogP: -1.8 Num_rotatable_bonds: 19
MolWt: 1093.26 Num_heavy_atoms: 76
TPSA: 355.29 NumAromaticRings: 0

Unique Aglycone
AD54262
Formula: C29H48O4

Smiles:
C=C(OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1CC)C(CC(C)CO)OC
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.86
AlogP: 5.88 Num_rotatable_bonds: 8
MolWt: 460.7 Num_heavy_atoms: 33
TPSA: 58.92 NumAromaticRings: 0

Sugarmoiety
SD00214

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O