Glycoside
...
GD133600

Name:
1-[10-(benzyloxy)-1,3a,3b,11-tetrahydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one

Formula:
C49H74O16

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(=CCC6(O)C5C(OCc5ccccc5)C(O)C5(C)C(O)(C(C)=O)CCC65O)C4)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(OCc3ccccc3)C(O)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 5 FractionCSP3: 0.82
AlogP: 3.63 Num_rotatable_bonds: 13
MolWt: 919.12 Num_heavy_atoms: 65
TPSA: 210.52 NumAromaticRings: 1

Unique Aglycone
AD54066
Formula: C28H38O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(OCc3ccccc3)C(O)C12C
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.68
AlogP: 2.03 Num_rotatable_bonds: 4
MolWt: 486.61 Num_heavy_atoms: 35
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD00437

COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O