Glycoside
...
GD150144

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

Formula:
C57H96O29

Smiles:
CC(CCC(O)C(C)C1CCC2C3CCC4=CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)CC4(C)C3CCC12C)COC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(CO)CCC(O)C(C)C1CCC2C3CCC4=CC(O)C(O)CC4(C)C3CCC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 9
HBD: 19 FractionCSP3: 0.96
AlogP: -6.58 Num_rotatable_bonds: 21
MolWt: 1245.37 Num_heavy_atoms: 86
TPSA: 476.67 NumAromaticRings: 0

Unique Aglycone
AD59992
Formula: C27H46O4

Smiles:
CC(CO)CCC(O)C(C)C1CCC2C3CCC4=CC(O)C(O)CC4(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 4.3 Num_rotatable_bonds: 6
MolWt: 434.66 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD06045

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O