Glycoside
...
GD153685

Name:
7-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)methoxy]oxan-2-yl)oxy]-9a,11a-dimethyl-1-(3-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-ylidene)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-one

Formula:
C50H78O22

Smiles:
CC(C(=O)CCCCOC1OC(CO)C(O)C(O)C1O)=C1C(=O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C6O)C(O)C5OCC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(C(=O)CCCCO)=C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
CC1OC(COC2C(O)OC(CO)C(OC3OC(CO)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 12 FractionCSP3: 0.88
AlogP: -2.46 Num_rotatable_bonds: 17
MolWt: 1031.15 Num_heavy_atoms: 72
TPSA: 350.74 NumAromaticRings: 0

Unique Aglycone
AD61093
Formula: C26H38O4

Smiles:
CC(C(=O)CCCCO)=C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.77
AlogP: 4.54 Num_rotatable_bonds: 5
MolWt: 414.59 Num_heavy_atoms: 30
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD10148

CC1OC(COC2C(O)OC(CO)C(OC3OC(CO)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O