Glycoside
...
GD118379

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

Formula:
C49H80O19

Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(C=CC5C4CCC4(C)C5CCC4(O)C(C)OC4CC(O)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C3)C(O)C2OC)OC(C)C1OC(C)=O

Aglycone:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
CC1OC(O)CC(O)C1OC1OC(CO)C(O)C(O)C1O.COC1CC(OC2C(C)OC(O)C(O)C2OC)OC(C)C1OC(C)=O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 7 FractionCSP3: 0.94
AlogP: 1.59 Num_rotatable_bonds: 13
MolWt: 973.16 Num_heavy_atoms: 68
TPSA: 260.21 NumAromaticRings: 0

Unique Aglycone
AD46010
Formula: C21H34O3

Smiles:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 3.28 Num_rotatable_bonds: 1
MolWt: 334.5 Num_heavy_atoms: 24
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD05230

CC1OC(O)CC(O)C1OC1OC(CO)C(O)C(O)C1O.COC1CC(OC2C(C)OC(O)C(O)C2OC)OC(C)C1OC(C)=O