Glycoside
...
GD142735

Name:
1-acetyl-3a,3b-dihydroxy-7-{[5-({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]-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 3,4-dimethylpent-2-enoate

Formula:
C70H114O24

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(OC7CCC8(C)C(=CCC9(O)C8CC(OC(=O)C=C(C)C(C)C)C8(C)C(C(C)=O)CCC98O)C7)CC6OC)CC5OC)CC4OC)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(O)CC6OC)CC5OC)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 3 FractionCSP3: 0.91
AlogP: 7.08 Num_rotatable_bonds: 22
MolWt: 1339.66 Num_heavy_atoms: 94
TPSA: 270.2 NumAromaticRings: 0

Unique Aglycone
AD45368
Formula: C28H42O6

Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.79
AlogP: 3.87 Num_rotatable_bonds: 4
MolWt: 474.64 Num_heavy_atoms: 34
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD08886

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(O)CC6OC)CC5OC)CC4OC)CC3OC)CC2OC)OC(C)C1O