Glycoside
...
GD118405

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

Formula:
C42H70O15

Smiles:
COC1C(O)C(C)OC(OC2C(C)OC(OC3CCC4(C)C(C=CC5C4CCC4(C)C5CCC4(O)C(C)OC4OC(C)C(O)C(OC)C4O)C3)C(O)C2OC)C1O

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

Sugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1C(O)C(C)OC(OC2C(C)OC(O)C(O)C2OC)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 6 FractionCSP3: 0.95
AlogP: 1.8 Num_rotatable_bonds: 10
MolWt: 815.01 Num_heavy_atoms: 57
TPSA: 204.45 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
SD05236

COC1C(O)C(C)OC(O)C1O.COC1C(O)C(C)OC(OC2C(C)OC(O)C(O)C2OC)C1O