Glycoside
...
GD132387

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

Formula:
C46H76O16

Smiles:
CCC1C(OC2(C)CCC(C)CO2)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CCC1C(OC2(C)CCC(C)CO2)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 8 FractionCSP3: 0.96
AlogP: 2.02 Num_rotatable_bonds: 10
MolWt: 885.1 Num_heavy_atoms: 62
TPSA: 235.68 NumAromaticRings: 0

Unique Aglycone
AD46051
Formula: C28H46O3

Smiles:
CCC1C(OC2(C)CCC(C)CO2)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 3 RingCount: 5
HBD: 1 FractionCSP3: 0.93
AlogP: 6.49 Num_rotatable_bonds: 3
MolWt: 430.67 Num_heavy_atoms: 31
TPSA: 38.69 NumAromaticRings: 0

Sugarmoiety
SD00209

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