Glycoside
...
GD116778

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

Formula:
C47H78O16

Smiles:
CCC(C=CC(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C

Aglycone:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C

Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 10 FractionCSP3: 0.91
AlogP: 1.27 Num_rotatable_bonds: 14
MolWt: 899.13 Num_heavy_atoms: 63
TPSA: 257.68 NumAromaticRings: 0

Unique Aglycone
AD15110
Formula: C29H48O

Smiles:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.86
AlogP: 7.8 Num_rotatable_bonds: 5
MolWt: 412.7 Num_heavy_atoms: 30
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00602

OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O