Glycoside
...
GD147840

Name:
2-[5-({4-[(5-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-2-yl}oxy)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-hydroxy-6-methylheptan-4-one

Formula:
C62H102O29

Smiles:
CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(OC7OC(C)C(O)C(O)C7O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(O)CCC4(C)C3=CCC21C

Aglycone:
CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC21C

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 10
HBD: 16 FractionCSP3: 0.95
AlogP: -3.65 Num_rotatable_bonds: 18
MolWt: 1311.47 Num_heavy_atoms: 91
TPSA: 451.51 NumAromaticRings: 0

Unique Aglycone
AD02700
Formula: C27H44O4

Smiles:
CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.65 Num_rotatable_bonds: 5
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00672

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O