Glycoside
...
GD148047

Name:
2-[(4-hydroxy-2-{[2-hydroxy-1-(3-hydroxy-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-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}-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C51H86O22

Smiles:
CC(CCC(O)C(C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C)COC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 14 FractionCSP3: 0.96
AlogP: -2.35 Num_rotatable_bonds: 16
MolWt: 1051.23 Num_heavy_atoms: 73
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD14263
Formula: C27H46O4

Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
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
SD00664

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O