Glycoside
...
GD130967

Name:
5-hydroxy-4-{7-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-one

Formula:
C42H60O18

Smiles:
COC1C(O)C(OC2CCC3(C)C4=C(CCC3C2)C2=CC=C(C3=CC(=O)OC3O)C2(C)CC4)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC3=C(CCC4CC(O)CCC34C)C1=CC=C2C1=CC(=O)OC1O

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 9 FractionCSP3: 0.79
AlogP: -1.13 Num_rotatable_bonds: 10
MolWt: 852.92 Num_heavy_atoms: 60
TPSA: 272.98 NumAromaticRings: 0

Unique Aglycone
AD53075
Formula: C23H28O4

Smiles:
CC12CCC3=C(CCC4CC(O)CCC34C)C1=CC=C2C1=CC(=O)OC1O
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.61
AlogP: 3.71 Num_rotatable_bonds: 1
MolWt: 368.47 Num_heavy_atoms: 27
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00606

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O