Glycoside
...
GD123281

Name:
1-[7-({5-[(5-{[5-({5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-2,3,3a,3b-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one

Formula:
C66H110O31

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C(C)=O)C(O)C(O)C34O)C2)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1

Aglycone:
CC(=O)C1C(O)C(O)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 31 RingCount: 11
HBD: 13 FractionCSP3: 0.98
AlogP: -2.22 Num_rotatable_bonds: 20
MolWt: 1399.58 Num_heavy_atoms: 97
TPSA: 436.97 NumAromaticRings: 0

Unique Aglycone
AD46935
Formula: C21H34O6

Smiles:
CC(=O)C1C(O)C(O)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.95
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 382.5 Num_heavy_atoms: 27
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD06119

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1