Glycoside
...
GD155525

Name:
2-({1-[4-(2-ethenyl-3,3-dimethyloxiran-2-yl)butan-2-yl]-2,5-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C35H54O9

Smiles:
C=CC1(CCC(C)C2C(O)CC3C4=CC(O)C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4=CCC32C)OC1(C)C

Aglycone:
C=CC1(CCC(C)C2C(O)CC3C4=CC(O)C5CC(O)CCC5(C)C4=CCC32C)OC1(C)C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 6
HBD: 6 FractionCSP3: 0.83
AlogP: 2.76 Num_rotatable_bonds: 8
MolWt: 618.81 Num_heavy_atoms: 44
TPSA: 152.37 NumAromaticRings: 0

Unique Aglycone
AD61690
Formula: C29H44O4

Smiles:
C=CC1(CCC(C)C2C(O)CC3C4=CC(O)C5CC(O)CCC5(C)C4=CCC32C)OC1(C)C
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.79
AlogP: 4.94 Num_rotatable_bonds: 5
MolWt: 456.67 Num_heavy_atoms: 33
TPSA: 73.22 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O