Glycoside
...
GD142339

Name:
2-({6-[(6-{[1-(5-ethyl-6-methylheptan-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-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C47H80O16

Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C

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

Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 10 FractionCSP3: 0.96
AlogP: 1.5 Num_rotatable_bonds: 15
MolWt: 901.14 Num_heavy_atoms: 63
TPSA: 257.68 NumAromaticRings: 0

Unique Aglycone
AD01460
Formula: C29H50O

Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.93
AlogP: 8.02 Num_rotatable_bonds: 6
MolWt: 414.72 Num_heavy_atoms: 30
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00317

OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O