Glycoside
...
GD150290

Name:
2-{[9-hydroxy-1-(3-hydroxy-5,6-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-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-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:
C46H76O19

Smiles:
CC(COC1OC(CO)C(O)C(O)C1O)=C(C)CC(O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C

Aglycone:
CC(CO)=C(C)CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 0.91
AlogP: -1.91 Num_rotatable_bonds: 14
MolWt: 933.1 Num_heavy_atoms: 65
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD60046
Formula: C28H46O4

Smiles:
CC(CO)=C(C)CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.86
AlogP: 4.61 Num_rotatable_bonds: 5
MolWt: 446.67 Num_heavy_atoms: 32
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00518

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O