Glycoside
...
GD034872

Name:
2-[(6-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C41H70O10

Smiles:
CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)C

Aglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 6 FractionCSP3: 0.95
AlogP: 4.7 Num_rotatable_bonds: 11
MolWt: 723.0 Num_heavy_atoms: 51
TPSA: 158.3 NumAromaticRings: 0

Unique Aglycone
AD01460
Formula: C29H50O

Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.93
AlogP: 8.02 Num_rotatable_bonds: 6
MolWt: 414.72 Num_heavy_atoms: 30
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD01124

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O