Glycoside
...
GD120001

Name:
1-acetyl-1,3a,3b-trihydroxy-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-11-yl benzoate

Formula:
C49H72O16

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(=CCC6(O)C5CC(OC(=O)c5ccccc5)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)C3CC(OC(=O)c3ccccc3)C12C

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 4 FractionCSP3: 0.8
AlogP: 4.3 Num_rotatable_bonds: 12
MolWt: 917.1 Num_heavy_atoms: 65
TPSA: 207.36 NumAromaticRings: 1

Unique Aglycone
AD11133
Formula: C28H36O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.64
AlogP: 2.7 Num_rotatable_bonds: 3
MolWt: 484.59 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 1

Sugarmoiety
SD00437

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