Glycoside
...
GD143240

Name:
1-acetyl-1,3a,3b-trihydroxy-7-({4-hydroxy-5-[(5-{[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}-4-methoxy-6-methyloxan-2-yl)oxy]-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 4-hydroxybenzoate

Formula:
C62H94O23

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(O)CC(OC6CCC7(C)C(=CCC8(O)C7CC(OC(=O)c7ccc(O)cc7)C7(C)C(O)(C(C)=O)CCC87O)C6)OC5C)CC4OC)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccc(O)cc3)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(O)CC(O)OC5C)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 6 FractionCSP3: 0.84
AlogP: 4.42 Num_rotatable_bonds: 17
MolWt: 1207.41 Num_heavy_atoms: 85
TPSA: 293.97 NumAromaticRings: 1

Unique Aglycone
AD13257
Formula: C28H36O8

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccc(O)cc3)C12C
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.64
AlogP: 2.4 Num_rotatable_bonds: 3
MolWt: 500.59 Num_heavy_atoms: 36
TPSA: 144.52 NumAromaticRings: 1

Sugarmoiety
SD04414

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(O)CC(O)OC5C)CC4OC)CC3OC)CC2OC)OC(C)C1O